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Home > Thiazole > 1517621-44-1
1517621-44-1 | N-(benzo[d]thiazol-2-ylmethyl)-4H-1,2,4-triazole-3-carboxamide
CAS No: 1517621-44-1 Catalog No: AG01C92F MDL No:MFCD23416535
Product Description
Catalog Number:
AG01C92F
Chemical Name:
N-(benzo[d]thiazol-2-ylmethyl)-4H-1,2,4-triazole-3-carboxamide
CAS Number:
1517621-44-1
Molecular Formula:
C11H9N5OS
Molecular Weight:
259.2871
MDL Number:
MFCD23416535
IUPAC Name:
N-(1,3-benzothiazol-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
InChI:
InChI=1S/C11H9N5OS/c17-11(10-13-6-14-16-10)12-5-9-15-7-3-1-2-4-8(7)18-9/h1-4,6H,5H2,(H,12,17)(H,13,14,16)
InChI Key:
ASGMMBABLXNXJJ-UHFFFAOYSA-N
SMILES:
O=C(c1nnc[nH]1)NCc1nc2c(s1)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.287g/mol
Monoisotopic Mass:
259.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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