CAS 100987-89-1 | 1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]- | CAS Number 100987-89-1

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100987-89-1 | 1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]-

CAS No: 100987-89-1 Catalog No: AG0003DM MDL No:MFCD02032690

Product Description

Catalog Number:

AG0003DM

Chemical Name:

1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]-

CAS Number:

100987-89-1

Molecular Formula:

C11H13N3S

Molecular Weight:

219.3060

MDL Number:

MFCD02032690

IUPAC Name:

5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine

InChI:

InChI=1S/C11H13N3S/c1-7(2)8-3-5-9(6-4-8)10-13-14-11(12)15-10/h3-7H,1-2H3,(H2,12,14)

InChI Key:

QEKWMJDRQOKJJS-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)c1nnc(s1)N)C

Properties

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.306g/mol

Monoisotopic Mass:

219.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501