N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

C16H14N4O2S — CID 59323900

IUPACN-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCC(=O)c1ccc(-c2sc(NC(=O)n3ccnc3)nc2C)cc1
InChIInChI=1S/C16H14N4O2S/c1-10-14(13-5-3-12(4-6-13)11(2)21)23-15(18-10)19-16(22)20-8-7-17-9-20/h3-9H,1-2H3,(H,18,19,22)
InChIKeyUUUWTAMTQRHRQW-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.60
Rot. Bonds3

About N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 59323900) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID59323900
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCC(=O)c1ccc(-c2sc(NC(=O)n3ccnc3)nc2C)cc1
InChIInChI=1S/C16H14N4O2S/c1-10-14(13-5-3-12(4-6-13)11(2)21)23-15(18-10)19-16(22)20-8-7-17-9-20/h3-9H,1-2H3,(H,18,19,22)
InChIKeyUUUWTAMTQRHRQW-UHFFFAOYSA-N
XLogP3.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 87291867
N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 71480200
N-[5-[2-(2-fluorophenyl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293675
N-[4-methyl-5-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293655
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91284431
N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91606298
N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59615715
N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59465567
methyl 2-(imidazole-1-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 130411006
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide
CID 143575795

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 59323900) is N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is CC(=O)c1ccc(-c2sc(NC(=O)n3ccnc3)nc2C)cc1.
What is the InChIKey of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is UUUWTAMTQRHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10-14(13-5-3-12(4-6-13)11(2)21)23-15(18-10)19-16(22)20-8-7-17-9-20/h3-9H,1-2H3,(H,18,19,22).
What are the key properties of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 59323900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).