N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C17H16N4OS — CID 46674108

IUPACN-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(C)n2)n1-c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12-7-6-10-15(19-12)20-16(22)14-11-18-17(23-2)21(14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20,22)
InChIKeyYCTROVWRSJUVMG-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.55
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 46674108) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID46674108
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(C)n2)n1-c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12-7-6-10-15(19-12)20-16(22)14-11-18-17(23-2)21(14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20,22)
InChIKeyYCTROVWRSJUVMG-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
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CID 51248191
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46813286
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
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2-methylsulfanyl-3-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 30875130
2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide
CID 55834750
N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 29110340
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
CID 55515096
2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
CID 38668529
N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 167849022

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 46674108) is N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)Nc2cccc(C)n2)n1-c1ccccc1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is YCTROVWRSJUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12-7-6-10-15(19-12)20-16(22)14-11-18-17(23-2)21(14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20,22).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 46674108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).