ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate

C24H22N4O3S — CID 4873595

IUPACethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=c2scc(-c3ccccc3)n2-c2ccccc2)ncn1CC(C)=O
InChIInChI=1S/C24H22N4O3S/c1-3-31-23(30)21-22(25-16-27(21)14-17(2)29)26-24-28(19-12-8-5-9-13-19)20(15-32-24)18-10-6-4-7-11-18/h4-13,15-16H,3,14H2,1-2H3
InChIKeyKFJAJTNFDGVWMX-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.40
Rot. Bonds7

About ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate

ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate (PubChem CID 4873595) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate
PubChem CID4873595
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Nameethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=c2scc(-c3ccccc3)n2-c2ccccc2)ncn1CC(C)=O
InChIInChI=1S/C24H22N4O3S/c1-3-31-23(30)21-22(25-16-27(21)14-17(2)29)26-24-28(19-12-8-5-9-13-19)20(15-32-24)18-10-6-4-7-11-18/h4-13,15-16H,3,14H2,1-2H3
InChIKeyKFJAJTNFDGVWMX-UHFFFAOYSA-N
XLogP4.40
TPSA78.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-butyl-5-[[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]imidazole-4-carboxylate
CID 4873586
ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate
CID 4873549
ethyl 5-[[5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 1497119
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 1497126
ethyl 4-[2,5-diphenyl-3-(pyridin-2-yliminomethyl)pyrrol-1-yl]benzoate
CID 39373772
ethyl 5-acetamido-3-phenylimidazole-4-carboxylate
CID 12955184
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
ethyl 3-(2-methyl-5-phenylpyrrol-1-yl)benzoate
CID 4763682
ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate
CID 4993132
N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
CID 42598478
ethyl 4-[2,3-dihydroxy-5-phenyl-4-(1,3-thiazole-2-carbonyl)pyrrol-1-yl]benzoate
CID 136649763

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate (CID 4873595) is ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate is CCOC(=O)c1c(N=c2scc(-c3ccccc3)n2-c2ccccc2)ncn1CC(C)=O.
What is the InChIKey of ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
The InChIKey is KFJAJTNFDGVWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-3-31-23(30)21-22(25-16-27(21)14-17(2)29)26-24-28(19-12-8-5-9-13-19)20(15-32-24)18-10-6-4-7-11-18/h4-13,15-16H,3,14H2,1-2H3.
What are the key properties of ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate has a molecular weight of 446.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate is sourced from PubChem (CID 4873595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).