N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C16H15N3OS2 — CID 32988332

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H15N3OS2/c1-11-7-8-22-14(11)10-17-15(20)13-9-18-16(21)19(13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMGNWRPLZUFFZKB-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.83
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 32988332) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID32988332
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H15N3OS2/c1-11-7-8-22-14(11)10-17-15(20)13-9-18-16(21)19(13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMGNWRPLZUFFZKB-UHFFFAOYSA-N
XLogP3.83
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397
N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 32987382
3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24551430
3-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17481881
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 27781619
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 99701118
N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 38538666
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24549422
N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29371383
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24548750
N-[2-(5-bromothiophen-2-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17471136
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18119049

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 32988332) is N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is Cc1ccsc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is MGNWRPLZUFFZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-11-7-8-22-14(11)10-17-15(20)13-9-18-16(21)19(13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 32988332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).