[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate

C19H20N2O4S — CID 7932197

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CC=CCC3)n2)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-15-9-7-13(8-10-15)16-12-26-19(20-16)21-17(22)11-25-18(23)14-5-3-2-4-6-14/h2-3,7-10,12,14H,4-6,11H2,1H3,(H,20,21,22)/t14-/m0/s1
InChIKeyWUWFOFAPQNBUFV-AWEZNQCLSA-N
MW372.45 g/mol
LogP3.66
Rot. Bonds6

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 7932197) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID7932197
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CC=CCC3)n2)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-15-9-7-13(8-10-15)16-12-26-19(20-16)21-17(22)11-25-18(23)14-5-3-2-4-6-14/h2-3,7-10,12,14H,4-6,11H2,1H3,(H,20,21,22)/t14-/m0/s1
InChIKeyWUWFOFAPQNBUFV-AWEZNQCLSA-N
XLogP3.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065750
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8833632
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23875376
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932095
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387834
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8748330
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 126509238
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146490

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate (CID 7932197) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate is COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CC=CCC3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is WUWFOFAPQNBUFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-15-9-7-13(8-10-15)16-12-26-19(20-16)21-17(22)11-25-18(23)14-5-3-2-4-6-14/h2-3,7-10,12,14H,4-6,11H2,1H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7932197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).