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126533-98-0 | 4-Thiazolecarboxylic acid, 2-(1-piperidinyl)-, ethyl ester
CAS No: 126533-98-0 Catalog No: AG000SVX MDL No:MFCD22548818
Product Description
Catalog Number:
AG000SVX
Chemical Name:
4-Thiazolecarboxylic acid, 2-(1-piperidinyl)-, ethyl ester
CAS Number:
126533-98-0
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
MDL Number:
MFCD22548818
IUPAC Name:
ethyl 2-piperidin-1-yl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H16N2O2S/c1-2-15-10(14)9-8-16-11(12-9)13-6-4-3-5-7-13/h8H,2-7H2,1H3
InChI Key:
YDNOYPUXHJNTPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)N1CCCCC1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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