N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C16H14N4O2S — CID 24539331

IUPACN-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cn1
InChIInChI=1S/C16H14N4O2S/c1-22-14-8-7-11(9-17-14)19-15(21)13-10-18-16(23)20(13)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,23)(H,19,21)
InChIKeyBRGTYGWTBHKUJV-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.19
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 24539331) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID24539331
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cn1
InChIInChI=1S/C16H14N4O2S/c1-22-14-8-7-11(9-17-14)19-15(21)13-10-18-16(23)20(13)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,23)(H,19,21)
InChIKeyBRGTYGWTBHKUJV-UHFFFAOYSA-N
XLogP3.19
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 42011629
N-(6-methoxy-3-pyridinyl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 56762146
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
N-(4-fluorophenyl)-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 58965126
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carbohydrazide
CID 24553487
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
3-fluoro-N-(6-methoxy-3-pyridinyl)-5-(4-phenylphenyl)benzamide
CID 11646958
2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 44596787
5-N-(6-methoxy-3-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46548689
N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17449995
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 24539331) is N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is COc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is BRGTYGWTBHKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-14-8-7-11(9-17-14)19-15(21)13-10-18-16(23)20(13)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,23)(H,19,21).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 24539331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).