CAS 150986-83-7 | Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-cyano-4,7-dihydro-, 1,1-dimethylethyl ester | CAS Number 150986-83-7

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150986-83-7 | Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-cyano-4,7-dihydro-, 1,1-dimethylethyl ester

CAS No: 150986-83-7 Catalog No: AG001MZ1 MDL No:MFCD05664037

Product Description

Catalog Number:

AG001MZ1

Chemical Name:

Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-cyano-4,7-dihydro-, 1,1-dimethylethyl ester

CAS Number:

150986-83-7

Molecular Formula:

C13H17N3O2S

Molecular Weight:

279.3580

MDL Number:

MFCD05664037

IUPAC Name:

tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

InChI:

InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)16-5-4-8-9(6-14)11(15)19-10(8)7-16/h4-5,7,15H2,1-3H3

InChI Key:

HFWVFBQVIXKINU-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)sc2c1CCN(C2)C(=O)OC(C)(C)C

Properties

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.358g/mol

Monoisotopic Mass:

279.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
3- and 6-Substituted 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridines as A1 adenosine receptor allosteric modulators and antagonists.	Bioorganic & medicinal chemistry 20091015