[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

C19H17ClN2O4S2 — CID 27747759

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C19H17ClN2O4S2/c1-10-7-13(14(25-3)8-12(10)20)22-16(23)9-26-19(24)17-11(2)21-18(28-17)15-5-4-6-27-15/h4-8H,9H2,1-3H3,(H,22,23)
InChIKeyWTSNJCYJEUXANQ-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.95
Rot. Bonds6

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 27747759) has the molecular formula C19H17ClN2O4S2 and a molecular weight of 436.94 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
PubChem CID27747759
Molecular FormulaC19H17ClN2O4S2
Molecular Weight436.94 g/mol
Exact Mass436.03
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C19H17ClN2O4S2/c1-10-7-13(14(25-3)8-12(10)20)22-16(23)9-26-19(24)17-11(2)21-18(28-17)15-5-4-6-27-15/h4-8H,9H2,1-3H3,(H,22,23)
InChIKeyWTSNJCYJEUXANQ-UHFFFAOYSA-N
XLogP4.95
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42058339
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 55391741
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724414
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7891604
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137180
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 27747926
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824741
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 7801501
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668881
[2-(2-methoxyanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137272
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 55818042

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate (CID 27747759) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is WTSNJCYJEUXANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S2/c1-10-7-13(14(25-3)8-12(10)20)22-16(23)9-26-19(24)17-11(2)21-18(28-17)15-5-4-6-27-15/h4-8H,9H2,1-3H3,(H,22,23).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 436.94 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27747759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).