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126612-52-0 | 4-Thiazolecarboxamide, 2-[(aminoiminomethyl)amino]-N-(5-fluoro-2-benzothiazolyl)-
CAS No: 126612-52-0 Catalog No: AG000T0A MDL No:
Product Description
Catalog Number:
AG000T0A
Chemical Name:
4-Thiazolecarboxamide, 2-[(aminoiminomethyl)amino]-N-(5-fluoro-2-benzothiazolyl)-
CAS Number:
126612-52-0
Molecular Formula:
C12H9FN6OS2
Molecular Weight:
336.3679
IUPAC Name:
2-(diaminomethylideneamino)-N-(5-fluoro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C12H9FN6OS2/c13-5-1-2-8-6(3-5)16-12(22-8)18-9(20)7-4-21-11(17-7)19-10(14)15/h1-4H,(H,16,18,20)(H4,14,15,17,19)
InChI Key:
MCYWZNLJNZNGAJ-UHFFFAOYSA-N
SMILES:
NN=CNc1scc(n1)C(=O)Nc1nc2c(s1)ccc(c2)F
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.363g/mol
Monoisotopic Mass:
336.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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