N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C16H14N4OS2 — CID 32867357

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-14(19-15-18-12(9-23-15)10-6-7-10)13-8-17-16(22)20(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,22)(H,18,19,21)
InChIKeyGZROPRKICPJIHX-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.12
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 32867357) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID32867357
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-14(19-15-18-12(9-23-15)10-6-7-10)13-8-17-16(22)20(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,22)(H,18,19,21)
InChIKeyGZROPRKICPJIHX-UHFFFAOYSA-N
XLogP4.12
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.12
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-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 46667849
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 32868667
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 71901610
1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 94237843
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
2-benzyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32865615
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
CID 155941439
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 32868562

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 32867357) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is GZROPRKICPJIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c21-14(19-15-18-12(9-23-15)10-6-7-10)13-8-17-16(22)20(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,22)(H,18,19,21).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 32867357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).