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88724-02-1 | Guanidine, [4-[2-[(phenylmethyl)amino]-1H-imidazol-4-yl]-2-thiazolyl]-
CAS No: 88724-02-1 Catalog No: AG00453O MDL No:
Product Description
Catalog Number:
AG00453O
Chemical Name:
Guanidine, [4-[2-[(phenylmethyl)amino]-1H-imidazol-4-yl]-2-thiazolyl]-
CAS Number:
88724-02-1
Molecular Formula:
C14H15N7S
Molecular Weight:
313.3808
IUPAC Name:
2-[4-[2-(benzylamino)-1H-imidazol-5-yl]-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C14H15N7S/c15-12(16)21-14-20-11(8-22-14)10-7-18-13(19-10)17-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,17,18,19)(H4,15,16,20,21)
InChI Key:
SIAGJJQVIOZVBK-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1scc(n1)c1c[nH]c(n1)NCc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
313.383g/mol
Monoisotopic Mass:
313.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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