ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate

C16H20N4O6S — CID 1497126

IUPACethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=C2S[C@@H](CC(=O)OC)C(=O)N2C)ncn1CC(C)=O
InChIInChI=1S/C16H20N4O6S/c1-5-26-15(24)12-13(17-8-20(12)7-9(2)21)18-16-19(3)14(23)10(27-16)6-11(22)25-4/h8,10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyXSVCIROFTWCLJL-JTQLQIEISA-N
MW396.43 g/mol
LogP0.77
Rot. Bonds7

About ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate

ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate (PubChem CID 1497126) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
PubChem CID1497126
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Nameethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(N=C2S[C@@H](CC(=O)OC)C(=O)N2C)ncn1CC(C)=O
InChIInChI=1S/C16H20N4O6S/c1-5-26-15(24)12-13(17-8-20(12)7-9(2)21)18-16-19(3)14(23)10(27-16)6-11(22)25-4/h8,10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyXSVCIROFTWCLJL-JTQLQIEISA-N
XLogP0.77
TPSA120.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate with MolForge

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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
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
ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
CID 101483745
ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 4873595
ethyl 4-[[(5S)-5-[2-(4-iodoanilino)-2-oxoethyl]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 98307927
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
methyl 4-[[(5R)-3-methyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 29080577
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
N-(3-ethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28718014
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
N-(4-ethylphenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 4311304
ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate
CID 4873549

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
The IUPAC name of 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) is ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate is CCOC(=O)c1c(N=C2S[C@@H](CC(=O)OC)C(=O)N2C)ncn1CC(C)=O.
What is the InChIKey of ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
The InChIKey is XSVCIROFTWCLJL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-5-26-15(24)12-13(17-8-20(12)7-9(2)21)18-16-19(3)14(23)10(27-16)6-11(22)25-4/h8,10H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate?
ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate has a molecular weight of 396.43 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate is sourced from PubChem (CID 1497126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).