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115027-55-9 | Guanidine, N-[4-(1H-indol-3-yl)-5-methyl-2-thiazolyl]-
CAS No: 115027-55-9 Catalog No: AG000FPD MDL No:
Product Description
Catalog Number:
AG000FPD
Chemical Name:
Guanidine, N-[4-(1H-indol-3-yl)-5-methyl-2-thiazolyl]-
CAS Number:
115027-55-9
Molecular Formula:
C13H13N5S
Molecular Weight:
271.3408
IUPAC Name:
2-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C13H13N5S/c1-7-11(17-13(19-7)18-12(14)15)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,1H3,(H4,14,15,17,18)
InChI Key:
PAWVQNQQYYLBNN-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1sc(c(n1)c1c[nH]c2c1cccc2)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.342g/mol
Monoisotopic Mass:
271.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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