(2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C14H14N2O4S — CID 9112198

IUPAC(2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-10-9-21-14(19)16(10)7-13(18)20-8-12(17)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,17)
InChIKeyGDRJBAKTNZQKMI-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.40
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

(2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 9112198) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID9112198
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-10-9-21-14(19)16(10)7-13(18)20-8-12(17)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,17)
InChIKeyGDRJBAKTNZQKMI-UHFFFAOYSA-N
XLogP1.40
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 9112198) is (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is GDRJBAKTNZQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-9-21-14(19)16(10)7-13(18)20-8-12(17)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,17).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
(2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 306.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 9112198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).