ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate

C19H24N4O5S — CID 6386856

IUPACethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate
SMILESC=CCN1C(=O)/C(=C\C(=O)OC)S/C1=N\c1ncn(CCCC)c1C(=O)OCC
InChIInChI=1S/C19H24N4O5S/c1-5-8-10-22-12-20-16(15(22)18(26)28-7-3)21-19-23(9-6-2)17(25)13(29-19)11-14(24)27-4/h6,11-12H,2,5,7-10H2,1,3-4H3/b13-11+,21-19-
InChIKeyYYIPBHWYFHCNCM-XRDKCLOISA-N
MW420.49 g/mol
LogP2.67
Rot. Bonds9

About ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate

ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate (PubChem CID 6386856) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate
PubChem CID6386856
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Nameethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate
SMILESC=CCN1C(=O)/C(=C\C(=O)OC)S/C1=N\c1ncn(CCCC)c1C(=O)OCC
InChIInChI=1S/C19H24N4O5S/c1-5-8-10-22-12-20-16(15(22)18(26)28-7-3)21-19-23(9-6-2)17(25)13(29-19)11-14(24)27-4/h6,11-12H,2,5,7-10H2,1,3-4H3/b13-11+,21-19-
InChIKeyYYIPBHWYFHCNCM-XRDKCLOISA-N
XLogP2.67
TPSA103.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-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-[[5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 1497119
methyl (2Z)-2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate
CID 21231925
ethyl 4-[[3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4033933
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
2-[2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]acetic acid
CID 4979605
methyl (2Z)-2-[2-benzylimino-3-[3-[(5Z)-2-benzylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 139234613
ethyl 3-butyl-5-[[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]imidazole-4-carboxylate
CID 4873586
methyl (2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetate
CID 139237263
methyl 4-[[(5E)-3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 21231926
methyl (2Z)-2-[2-(3,4-difluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 17382451
4-[[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 7318811
ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate
CID 6391369

Frequently Asked Questions

What is the IUPAC name of ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate?
The IUPAC name of ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate (CID 6386856) is ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate is C=CCN1C(=O)/C(=C\C(=O)OC)S/C1=N\c1ncn(CCCC)c1C(=O)OCC.
What is the InChIKey of ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate?
The InChIKey is YYIPBHWYFHCNCM-XRDKCLOISA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-5-8-10-22-12-20-16(15(22)18(26)28-7-3)21-19-23(9-6-2)17(25)13(29-19)11-14(24)27-4/h6,11-12H,2,5,7-10H2,1,3-4H3/b13-11+,21-19-.
What are the key properties of ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate?
ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-butyl-5-[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]imidazole-4-carboxylate is sourced from PubChem (CID 6386856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).