1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone

C12H11FN2OS — CID 62751151

IUPAC1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyWAOVUCRBCLBEOW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone

1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 62751151) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID62751151
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyWAOVUCRBCLBEOW-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-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-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone (CID 62751151) is 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)c2ccccc2F)s1.
What is the InChIKey of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is WAOVUCRBCLBEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3.
What are the key properties of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).