[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate

C17H19ClN2O3S — CID 71884381

IUPAC[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1csc(C)n1
InChIInChI=1S/C17H19ClN2O3S/c1-4-11-6-7-13(18)12(5-2)16(11)20-15(21)8-23-17(22)14-9-24-10(3)19-14/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyCUINNIZBZNRBPQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.03
Rot. Bonds6

About [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate

[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 71884381) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate
PubChem CID71884381
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1csc(C)n1
InChIInChI=1S/C17H19ClN2O3S/c1-4-11-6-7-13(18)12(5-2)16(11)20-15(21)8-23-17(22)14-9-24-10(3)19-14/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyCUINNIZBZNRBPQ-UHFFFAOYSA-N
XLogP4.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate (CID 71884381) is [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate is CCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1csc(C)n1.
What is the InChIKey of [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is CUINNIZBZNRBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-4-11-6-7-13(18)12(5-2)16(11)20-15(21)8-23-17(22)14-9-24-10(3)19-14/h6-7,9H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate?
[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 366.87 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2,6-diethylanilino)-2-oxoethyl] 2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71884381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).