[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate

C21H19ClN2O4S — CID 46559526

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-2-27-18-9-5-14(6-10-18)20(26)23-11-19(25)28-12-17-13-29-21(24-17)15-3-7-16(22)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,23,26)
InChIKeyIGJUTZLPWXEIIP-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.34
Rot. Bonds8

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

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 46559526) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID46559526
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-2-27-18-9-5-14(6-10-18)20(26)23-11-19(25)28-12-17-13-29-21(24-17)15-3-7-16(22)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,23,26)
InChIKeyIGJUTZLPWXEIIP-UHFFFAOYSA-N
XLogP4.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884944
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2408728
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885532
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 7880026
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579793
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 30046828

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 46559526) is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is IGJUTZLPWXEIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-2-27-18-9-5-14(6-10-18)20(26)23-11-19(25)28-12-17-13-29-21(24-17)15-3-7-16(22)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,23,26).
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate?
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 430.91 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 46559526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).