[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C17H13ClN2O4S2 — CID 7146490

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C17H13ClN2O4S2/c1-23-11-4-2-10(3-5-11)12-9-25-17(19-12)20-15(21)8-24-16(22)13-6-7-14(18)26-13/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyGWTAPVZKWYWIQA-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.33
Rot. Bonds6

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 7146490) has the molecular formula C17H13ClN2O4S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID7146490
Molecular FormulaC17H13ClN2O4S2
Molecular Weight408.89 g/mol
Exact Mass408.00
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C17H13ClN2O4S2/c1-23-11-4-2-10(3-5-11)12-9-25-17(19-12)20-15(21)8-24-16(22)13-6-7-14(18)26-13/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyGWTAPVZKWYWIQA-UHFFFAOYSA-N
XLogP4.33
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate with MolForge

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Related Compounds

[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] 4-(methoxymethyl)benzoate
CID 7488704
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387834
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492923
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-nitrobenzoate
CID 7768587
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418699

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 7146490) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Cl)s3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is GWTAPVZKWYWIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S2/c1-23-11-4-2-10(3-5-11)12-9-25-17(19-12)20-15(21)8-24-16(22)13-6-7-14(18)26-13/h2-7,9H,8H2,1H3,(H,19,20,21).
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 408.89 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).