[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate

C13H9Cl3N2O3S — CID 55769194

IUPAC[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3N2O3S/c1-6-12(22-5-17-6)13(20)21-4-10(19)18-11-8(15)2-7(14)3-9(11)16/h2-3,5H,4H2,1H3,(H,18,19)
InChIKeyIRDBRPSUPZJGPA-UHFFFAOYSA-N
MW379.65 g/mol
LogP4.21
Rot. Bonds4

About [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55769194) has the molecular formula C13H9Cl3N2O3S and a molecular weight of 379.65 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID55769194
Molecular FormulaC13H9Cl3N2O3S
Molecular Weight379.65 g/mol
Exact Mass377.94
IUPAC Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3N2O3S/c1-6-12(22-5-17-6)13(20)21-4-10(19)18-11-8(15)2-7(14)3-9(11)16/h2-3,5H,4H2,1H3,(H,18,19)
InChIKeyIRDBRPSUPZJGPA-UHFFFAOYSA-N
XLogP4.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469412
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-methylbenzoate
CID 7718015
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] pyridine-4-carboxylate
CID 2347807
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate
CID 2624996
[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 55998484
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] (E)-but-2-enoate
CID 7699128
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-amino-4-chlorobenzoate
CID 7764963
[2-(3,5-dichloroanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469411
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501312
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methyl-2-nitrobenzoate
CID 18289708
2-(4-aminophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 61027526

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate (CID 55769194) is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate is Cc1ncsc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IRDBRPSUPZJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O3S/c1-6-12(22-5-17-6)13(20)21-4-10(19)18-11-8(15)2-7(14)3-9(11)16/h2-3,5H,4H2,1H3,(H,18,19).
What are the key properties of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 379.65 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55769194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).