1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone

C11H9ClN2OS — CID 2744808

IUPAC1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2OS/c1-7(15)10-6-16-11(14-10)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,14)
InChIKeyCKTQMHYEPIBWOE-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.74
Rot. Bonds3

About 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone

1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone (PubChem CID 2744808) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone
PubChem CID2744808
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2OS/c1-7(15)10-6-16-11(14-10)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,14)
InChIKeyCKTQMHYEPIBWOE-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone (CID 2744808) is 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(Nc2ccccc2Cl)n1.
What is the InChIKey of 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is CKTQMHYEPIBWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7(15)10-6-16-11(14-10)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,14).
What are the key properties of 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 252.73 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 2744808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).