2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride

C23H20ClN5OS — CID 159636120

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride
SMILESCc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.Cl.c1ccncc1
InChIInChI=1S/C18H14N4OS.C5H5N.ClH/c1-11-15(22-10-6-5-9-13(22)20-11)18-21-14(16(24-18)17(19)23)12-7-3-2-4-8-12;1-2-4-6-5-3-1;/h2-10H,1H3,(H2,19,23);1-5H;1H
InChIKeyKWGYAAYXXQJDIA-UHFFFAOYSA-N
MW449.97 g/mol
LogP5.04
Rot. Bonds3

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride (PubChem CID 159636120) has the molecular formula C23H20ClN5OS and a molecular weight of 449.97 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride
PubChem CID159636120
Molecular FormulaC23H20ClN5OS
Molecular Weight449.97 g/mol
Exact Mass449.11
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride
SMILESCc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.Cl.c1ccncc1
InChIInChI=1S/C18H14N4OS.C5H5N.ClH/c1-11-15(22-10-6-5-9-13(22)20-11)18-21-14(16(24-18)17(19)23)12-7-3-2-4-8-12;1-2-4-6-5-3-1;/h2-10H,1H3,(H2,19,23);1-5H;1H
InChIKeyKWGYAAYXXQJDIA-UHFFFAOYSA-N
XLogP5.04
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.97
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride (CID 159636120) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride is Cc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.Cl.c1ccncc1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride?
The InChIKey is KWGYAAYXXQJDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS.C5H5N.ClH/c1-11-15(22-10-6-5-9-13(22)20-11)18-21-14(16(24-18)17(19)23)12-7-3-2-4-8-12;1-2-4-6-5-3-1;/h2-10H,1H3,(H2,19,23);1-5H;1H.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride has a molecular weight of 449.97 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride is sourced from PubChem (CID 159636120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).