N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide

C16H14N4OS — CID 6235724

IUPACN-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1cccs1
InChIInChI=1S/C16H14N4OS/c21-16(14-7-4-10-22-14)20-19-13(11-15-17-8-9-18-15)12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)(H,20,21)/b19-13-
InChIKeyYDYKZHYPLCFUKW-UYRXBGFRSA-N
MW310.38 g/mol
LogP2.85
Rot. Bonds5

About N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide

N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide (PubChem CID 6235724) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
PubChem CID6235724
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1cccs1
InChIInChI=1S/C16H14N4OS/c21-16(14-7-4-10-22-14)20-19-13(11-15-17-8-9-18-15)12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)(H,20,21)/b19-13-
InChIKeyYDYKZHYPLCFUKW-UYRXBGFRSA-N
XLogP2.85
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6390210
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide
CID 6389026
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 6236263
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide
CID 6221857
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 4838698
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115668385
N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
CID 678526
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide (CID 6235724) is N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide is O=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
The InChIKey is YDYKZHYPLCFUKW-UYRXBGFRSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(14-7-4-10-22-14)20-19-13(11-15-17-8-9-18-15)12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6235724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).