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123724-99-2 | 5-Thiazolecarboxamide, N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-2-(formylamino)-4-methyl-
CAS No: 123724-99-2 Catalog No: AG000L0C MDL No:
Product Description
Catalog Number:
AG000L0C
Chemical Name:
5-Thiazolecarboxamide, N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-2-(formylamino)-4-methyl-
CAS Number:
123724-99-2
Molecular Formula:
C15H19N7O3S
Molecular Weight:
377.4215
IUPAC Name:
N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-2-formamido-4-methyl-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C15H19N7O3S/c1-8-12(26-15(20-8)19-7-23)14(25)21-9-5-10(22(2)6-9)13(24)18-4-3-11(16)17/h5-7H,3-4H2,1-2H3,(H3,16,17)(H,18,24)(H,21,25)(H,19,20,23)
InChI Key:
WZETUEKREZESPG-UHFFFAOYSA-N
SMILES:
O=CNc1nc(c(s1)C(=O)Nc1cn(c(c1)C(=O)NCCC(=N)N)C)C
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
377.423g/mol
Monoisotopic Mass:
377.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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