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825617-10-5 | 2-Thiazolecarboxamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS No: 825617-10-5 Catalog No: AG00540P MDL No:
Product Description
Catalog Number:
AG00540P
Chemical Name:
2-Thiazolecarboxamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS Number:
825617-10-5
Molecular Formula:
C14H10N6OS
Molecular Weight:
310.3338
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole-2-carboxamide
InChI:
InChI=1S/C14H10N6OS/c21-13(14-15-5-6-22-14)19-10-7-16-20-11(10)12-17-8-3-1-2-4-9(8)18-12/h1-7H,(H,16,20)(H,17,18)(H,19,21)
InChI Key:
STAXDSARVGMCNR-UHFFFAOYSA-N
SMILES:
O=C(c1nccs1)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.335g/mol
Monoisotopic Mass:
310.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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