[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C17H19N3O5S — CID 9380070

IUPAC[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1cccc(NC(=O)NC(=O)COC(=O)Cn2c(C)csc2=O)c1C
InChIInChI=1S/C17H19N3O5S/c1-10-5-4-6-13(12(10)3)18-16(23)19-14(21)8-25-15(22)7-20-11(2)9-26-17(20)24/h4-6,9H,7-8H2,1-3H3,(H2,18,19,21,23)
InChIKeyKQJSKDLTZHZNBM-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.73
Rot. Bonds5

About [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 9380070) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID9380070
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1cccc(NC(=O)NC(=O)COC(=O)Cn2c(C)csc2=O)c1C
InChIInChI=1S/C17H19N3O5S/c1-10-5-4-6-13(12(10)3)18-16(23)19-14(21)8-25-15(22)7-20-11(2)9-26-17(20)24/h4-6,9H,7-8H2,1-3H3,(H2,18,19,21,23)
InChIKeyKQJSKDLTZHZNBM-UHFFFAOYSA-N
XLogP1.73
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate 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-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 9380070) is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1cccc(NC(=O)NC(=O)COC(=O)Cn2c(C)csc2=O)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is KQJSKDLTZHZNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-10-5-4-6-13(12(10)3)18-16(23)19-14(21)8-25-15(22)7-20-11(2)9-26-17(20)24/h4-6,9H,7-8H2,1-3H3,(H2,18,19,21,23).
What are the key properties of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 377.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 9380070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).