N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C16H14N4O2S2 — CID 51248191

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2nc(C(C)=O)cs2)n1-c1ccccc1
InChIInChI=1S/C16H14N4O2S2/c1-10(21)12-9-24-15(18-12)19-14(22)13-8-17-16(23-2)20(13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19,22)
InChIKeyJCNRIOIRQDJRQC-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.51
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 51248191) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID51248191
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2nc(C(C)=O)cs2)n1-c1ccccc1
InChIInChI=1S/C16H14N4O2S2/c1-10(21)12-9-24-15(18-12)19-14(22)13-8-17-16(23-2)20(13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19,22)
InChIKeyJCNRIOIRQDJRQC-UHFFFAOYSA-N
XLogP3.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026336
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
2-methylsulfanyl-3-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxamide
CID 86945432
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
N-(4-acetyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 60716951
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46402331
N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 29110340
3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
CID 55515096
2-methylsulfanyl-3-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 30875130
N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 167849022
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 51248191) is N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)Nc2nc(C(C)=O)cs2)n1-c1ccccc1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is JCNRIOIRQDJRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-10(21)12-9-24-15(18-12)19-14(22)13-8-17-16(23-2)20(13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,19,22).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 51248191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).