[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C18H14N2O4S2 — CID 8724393

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCC(=O)NC(=O)c1cccs1
InChIInChI=1S/C18H14N2O4S2/c1-11-15(26-17(19-11)12-6-3-2-4-7-12)18(23)24-10-14(21)20-16(22)13-8-5-9-25-13/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyZZTSOJPYWMOADT-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.29
Rot. Bonds5

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 8724393) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID8724393
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCC(=O)NC(=O)c1cccs1
InChIInChI=1S/C18H14N2O4S2/c1-11-15(26-17(19-11)12-6-3-2-4-7-12)18(23)24-10-14(21)20-16(22)13-8-5-9-25-13/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyZZTSOJPYWMOADT-UHFFFAOYSA-N
XLogP3.29
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-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

[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721046
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724479
[2-(4-fluoroanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721000
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721356
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27747033
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724477
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724414
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 27747926
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824741

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 8724393) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)NC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZZTSOJPYWMOADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S2/c1-11-15(26-17(19-11)12-6-3-2-4-7-12)18(23)24-10-14(21)20-16(22)13-8-5-9-25-13/h2-9H,10H2,1H3,(H,20,21,22).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8724393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).