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828921-07-9 | 2-Thiophenecarboxamide, N-[4-chloro-5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS No: 828921-07-9 Catalog No: AG008HY6 MDL No:
Product Description
Catalog Number:
AG008HY6
Chemical Name:
2-Thiophenecarboxamide, N-[4-chloro-5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS Number:
828921-07-9
Molecular Formula:
C12H12ClN3OS2
Molecular Weight:
313.8262
IUPAC Name:
N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
InChI:
InChI=1S/C12H12ClN3OS2/c13-9-11(16-5-1-2-6-16)19-12(14-9)15-10(17)8-4-3-7-18-8/h3-4,7H,1-2,5-6H2,(H,14,15,17)
InChI Key:
FMESTDDQASOFTG-UHFFFAOYSA-N
SMILES:
Clc1nc(sc1N1CCCC1)NC(=O)c1cccs1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.818g/mol
Monoisotopic Mass:
313.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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