[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate

C20H16Cl2N2O4S — CID 43029577

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H16Cl2N2O4S/c1-27-17-6-5-14(22)8-16(17)24-18(25)10-28-19(26)9-15-11-29-20(23-15)12-3-2-4-13(21)7-12/h2-8,11H,9-10H2,1H3,(H,24,25)
InChIKeyQECZSHDGVDEXMU-UHFFFAOYSA-N
MW451.33 g/mol
LogP4.85
Rot. Bonds7

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 43029577) has the molecular formula C20H16Cl2N2O4S and a molecular weight of 451.33 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID43029577
Molecular FormulaC20H16Cl2N2O4S
Molecular Weight451.33 g/mol
Exact Mass450.02
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H16Cl2N2O4S/c1-27-17-6-5-14(22)8-16(17)24-18(25)10-28-19(26)9-15-11-29-20(23-15)12-3-2-4-13(21)7-12/h2-8,11H,9-10H2,1H3,(H,24,25)
InChIKeyQECZSHDGVDEXMU-UHFFFAOYSA-N
XLogP4.85
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774898
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870071
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815602
[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 43026524
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 43029577) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is QECZSHDGVDEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S/c1-27-17-6-5-14(22)8-16(17)24-18(25)10-28-19(26)9-15-11-29-20(23-15)12-3-2-4-13(21)7-12/h2-8,11H,9-10H2,1H3,(H,24,25).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 451.33 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43029577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).