(2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate

C14H14N2O3S — CID 7469416

IUPAC(2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H14N2O3S/c1-9-13(20-10(2)15-9)14(18)19-8-12(17)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyJQAMTOVKTFFKPB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.56
Rot. Bonds4

About (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate

(2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7469416) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7469416
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H14N2O3S/c1-9-13(20-10(2)15-9)14(18)19-8-12(17)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyJQAMTOVKTFFKPB-UHFFFAOYSA-N
XLogP2.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7469416) is (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is JQAMTOVKTFFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-13(20-10(2)15-9)14(18)19-8-12(17)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate?
(2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7469416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).