[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C20H17ClN2O4S — CID 2387834

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H17ClN2O4S/c1-26-16-8-4-14(5-9-16)17-12-28-20(22-17)23-18(24)11-27-19(25)10-13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,23,24)
InChIKeySXLINVDJAUPQKU-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.20
Rot. Bonds7

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2387834) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2387834
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H17ClN2O4S/c1-26-16-8-4-14(5-9-16)17-12-28-20(22-17)23-18(24)11-27-19(25)10-13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,23,24)
InChIKeySXLINVDJAUPQKU-UHFFFAOYSA-N
XLogP4.20
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
[4-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl] butanoate
CID 123388088
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676
[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] 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] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2387834) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is COc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is SXLINVDJAUPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-26-16-8-4-14(5-9-16)17-12-28-20(22-17)23-18(24)11-27-19(25)10-13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,23,24).
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 416.89 g/mol, XLogP of 4.20, 7 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] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2387834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).