N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C15H17N3OS — CID 71901610

IUPACN-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=S)n1-c1ccccc1)C1CC1
InChIInChI=1S/C15H17N3OS/c1-10(11-7-8-11)17-14(19)13-9-16-15(20)18(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyHJQMQSCWFZRVPY-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.06
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 71901610) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID71901610
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=S)n1-c1ccccc1)C1CC1
InChIInChI=1S/C15H17N3OS/c1-10(11-7-8-11)17-14(19)13-9-16-15(20)18(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyHJQMQSCWFZRVPY-UHFFFAOYSA-N
XLogP3.06
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24544737
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CID 18114880
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32867357
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 7063948
N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29371383
N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 42011629
N-(1,3-dioxan-4-ylmethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 102560806
3-phenyl-N-[(3R)-1-(phenylcarbamoyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 100748973
N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 30895160
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 97033158
3-phenyl-2-sulfanylidene-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-1H-imidazole-4-carboxamide
CID 51118419
azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 18108153

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 71901610) is N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is CC(NC(=O)c1c[nH]c(=S)n1-c1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is HJQMQSCWFZRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10(11-7-8-11)17-14(19)13-9-16-15(20)18(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 71901610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).