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

C18H20N4O2S — CID 4873549

IUPACethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=c2scc(C)n2-c2ccccc2)ncn1CC
InChIInChI=1S/C18H20N4O2S/c1-4-21-12-19-16(15(21)17(23)24-5-2)20-18-22(13(3)11-25-18)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyXDGRBMCZEVQBAC-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.47
Rot. Bonds5

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

ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate (PubChem CID 4873549) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate
PubChem CID4873549
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Nameethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=c2scc(C)n2-c2ccccc2)ncn1CC
InChIInChI=1S/C18H20N4O2S/c1-4-21-12-19-16(15(21)17(23)24-5-2)20-18-22(13(3)11-25-18)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyXDGRBMCZEVQBAC-UHFFFAOYSA-N
XLogP3.47
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]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 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 4873595
ethyl 3-butyl-5-[[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]imidazole-4-carboxylate
CID 4873586
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate
CID 156703969
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
ethyl 2-oxo-3-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxylate
CID 86797148
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 5-acetamido-3-phenylimidazole-4-carboxylate
CID 12955184
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
ethyl 2-benzoyl-3,4-dimethyl-6-phenylthieno[2,3-b]pyrrole-5-carboxylate
CID 11384135
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate (CID 4873549) is ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate is CCOC(=O)c1c(N=c2scc(C)n2-c2ccccc2)ncn1CC.
What is the InChIKey of ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate?
The InChIKey is XDGRBMCZEVQBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-21-12-19-16(15(21)17(23)24-5-2)20-18-22(13(3)11-25-18)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate?
ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate is sourced from PubChem (CID 4873549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).