1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

C12H10ClFN2OS — CID 79375825

IUPAC1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFN2OS/c1-6-11(7(2)17)12(18-16-6)15-10-5-8(13)3-4-9(10)14/h3-5,15H,1-2H3
InChIKeyAPPUUZKYEZBYTO-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.19
Rot. Bonds3

About 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375825) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375825
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFN2OS/c1-6-11(7(2)17)12(18-16-6)15-10-5-8(13)3-4-9(10)14/h3-5,15H,1-2H3
InChIKeyAPPUUZKYEZBYTO-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone 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 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375825) is 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1F.
What is the InChIKey of 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is APPUUZKYEZBYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-6-11(7(2)17)12(18-16-6)15-10-5-8(13)3-4-9(10)14/h3-5,15H,1-2H3.
What are the key properties of 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 284.74 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).