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828920-98-5 | 2-Thiophenecarboxamide, N-[5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS No: 828920-98-5 Catalog No: AG004VVC MDL No:
Product Description
Catalog Number:
AG004VVC
Chemical Name:
2-Thiophenecarboxamide, N-[5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS Number:
828920-98-5
Molecular Formula:
C12H13N3OS2
Molecular Weight:
279.3811
IUPAC Name:
N-(5-pyrrolidin-1-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
InChI:
InChI=1S/C12H13N3OS2/c16-11(9-4-3-7-17-9)14-12-13-8-10(18-12)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6H2,(H,13,14,16)
InChI Key:
MMNNGSDHGPZCAA-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)Nc1ncc(s1)N1CCCC1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.376g/mol
Monoisotopic Mass:
279.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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