[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C15H16N2O3S — CID 7954816

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-11(2)16-10)15(19)20-9-13(18)17(3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyZAWUIYHJSBJAOW-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.58
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954816) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954816
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-11(2)16-10)15(19)20-9-13(18)17(3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyZAWUIYHJSBJAOW-UHFFFAOYSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954816) is [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)N(C)c2ccccc2)s1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZAWUIYHJSBJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-14(21-11(2)16-10)15(19)20-9-13(18)17(3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).