N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C23H22N4OS — CID 73357237

IUPACN-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C23H22N4OS/c1-16(2)12-17-8-9-20(27-11-10-24-15-27)19(13-17)26-22(28)21-14-25-23(29-21)18-6-4-3-5-7-18/h3-11,13-16H,12H2,1-2H3,(H,26,28)
InChIKeyXVEIEUIURLFUMR-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.45
Rot. Bonds6

About N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 73357237) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID73357237
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C23H22N4OS/c1-16(2)12-17-8-9-20(27-11-10-24-15-27)19(13-17)26-22(28)21-14-25-23(29-21)18-6-4-3-5-7-18/h3-11,13-16H,12H2,1-2H3,(H,26,28)
InChIKeyXVEIEUIURLFUMR-UHFFFAOYSA-N
XLogP5.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrazin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911223
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 134277685
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
YM-202074
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2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 9114840
N-(5-Cyclobutyl-thiazol-2-yl)-2-(5,6-dimethyl-benzoimidazol-1-yl)-acetamide
CID 10291035
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
N-cyclohexyl-7-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 18003010
N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-methyl-thiazole-5-carboxamide
CID 53312140
N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 138585708
N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide
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N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 73357237) is N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is CC(C)Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XVEIEUIURLFUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-16(2)12-17-8-9-20(27-11-10-24-15-27)19(13-17)26-22(28)21-14-25-23(29-21)18-6-4-3-5-7-18/h3-11,13-16H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 73357237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).