[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

C15H15N3O4S2 — CID 27747926

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C15H15N3O4S2/c1-3-6-16-15(21)18-11(19)8-22-14(20)12-9(2)17-13(24-12)10-5-4-7-23-10/h3-5,7H,1,6,8H2,2H3,(H2,16,18,19,21)
InChIKeyTWMMBCMHKREZIO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.35
Rot. Bonds6

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 27747926) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
PubChem CID27747926
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C15H15N3O4S2/c1-3-6-16-15(21)18-11(19)8-22-14(20)12-9(2)17-13(24-12)10-5-4-7-23-10/h3-5,7H,1,6,8H2,2H3,(H2,16,18,19,21)
InChIKeyTWMMBCMHKREZIO-UHFFFAOYSA-N
XLogP2.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-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-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 55391741
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724393
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 30700000
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 27747759
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
(4-methoxycarbonylphenyl) 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 7668495
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate
CID 30402187
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 43015344
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837726

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate (CID 27747926) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate is C=CCNC(=O)NC(=O)COC(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is TWMMBCMHKREZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-3-6-16-15(21)18-11(19)8-22-14(20)12-9(2)17-13(24-12)10-5-4-7-23-10/h3-5,7H,1,6,8H2,2H3,(H2,16,18,19,21).
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 365.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27747926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).