[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate

C20H18N2O4S — CID 3554238

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2csc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-3-7-15(8-4-13)21-20-22-17(12-27-20)19(24)26-11-18(23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyMYTSGAOVARPLEM-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.24
Rot. Bonds7

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 3554238) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID3554238
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2csc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-3-7-15(8-4-13)21-20-22-17(12-27-20)19(24)26-11-18(23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyMYTSGAOVARPLEM-UHFFFAOYSA-N
XLogP4.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 3554241
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 155815410
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
CID 7486994
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[[4-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 98105832
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 7887090

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate (CID 3554238) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate is COc1ccc(C(=O)COC(=O)c2csc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is MYTSGAOVARPLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13-3-7-15(8-4-13)21-20-22-17(12-27-20)19(24)26-11-18(23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 382.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3554238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).