2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C11H11N3OS — CID 47110159

IUPAC2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(N)=O)n1-c1ccccc1
InChIInChI=1S/C11H11N3OS/c1-16-11-13-7-9(10(12)15)14(11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,15)
InChIKeyHOHHZQRUYDZEAJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.69
Rot. Bonds3

About 2-methylsulfanyl-3-phenylimidazole-4-carboxamide

2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 47110159) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID47110159
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(N)=O)n1-c1ccccc1
InChIInChI=1S/C11H11N3OS/c1-16-11-13-7-9(10(12)15)14(11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,15)
InChIKeyHOHHZQRUYDZEAJ-UHFFFAOYSA-N
XLogP1.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 55919005
2-methylsulfanyl-3-phenylimidazol-4-amine
CID 101471357
2-(2-fluorophenoxy)ethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486807
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46813286
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 18085557
(3-ethoxycarbonylfuran-2-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486941
2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 43026675
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 40704923
(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833858

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 47110159) is 2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(N)=O)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is HOHHZQRUYDZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-16-11-13-7-9(10(12)15)14(11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,15).
What are the key properties of 2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 47110159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).