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

C36H28ClN7O3S2 — CID 161215632

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(=O)O)s1.Cc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.Cl
InChIInChI=1S/C18H14N4OS.C18H13N3O2S.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;1-11-15(21-10-6-5-9-13(21)19-11)17-20-14(16(24-17)18(22)23)12-7-3-2-4-8-12;/h2-10H,1H3,(H2,19,23);2-10H,1H3,(H,22,23);1H
InChIKeyZGZZGXRRYXNYGE-UHFFFAOYSA-N
MW706.25 g/mol
LogP8.09
Rot. Bonds6

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

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 161215632) has the molecular formula C36H28ClN7O3S2 and a molecular weight of 706.25 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID161215632
Molecular FormulaC36H28ClN7O3S2
Molecular Weight706.25 g/mol
Exact Mass705.14
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(=O)O)s1.Cc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.Cl
InChIInChI=1S/C18H14N4OS.C18H13N3O2S.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;1-11-15(21-10-6-5-9-13(21)19-11)17-20-14(16(24-17)18(22)23)12-7-3-2-4-8-12;/h2-10H,1H3,(H2,19,23);2-10H,1H3,(H,22,23);1H
InChIKeyZGZZGXRRYXNYGE-UHFFFAOYSA-N
XLogP8.09
TPSA140.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.25
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride with MolForge

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Related Compounds

6-[3-(1,3-Benzothiazol-2-ylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid
CID 90644935
2-[[2-Ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 130272826
6-[8-(1,3-Benzothiazol-2-ylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]pyridine-2-carboxylic acid
CID 90644937
Methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 123499280
Methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 123591691
Methyl 2-[[2-ethyl-6-(1-methylsulfanylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 130283945
4-[2-Ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
CID 140656254
4-[2-Ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid
CID 140656257
Methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 142772351
Methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 142772366
5-(4-[3-(1,3-Thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-trityl-1H-3-pyrazolyl}-2-thiophene carboxylic acid
CID 22031054
8-[(2-Amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 59588302

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;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 161215632) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride is Cc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(=O)O)s1.Cc1nc2ccccn2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.Cl.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is ZGZZGXRRYXNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS.C18H13N3O2S.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;1-11-15(21-10-6-5-9-13(21)19-11)17-20-14(16(24-17)18(22)23)12-7-3-2-4-8-12;/h2-10H,1H3,(H2,19,23);2-10H,1H3,(H,22,23);1H.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 706.25 g/mol, XLogP of 8.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 161215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).