3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide

C12H11FN2OS — CID 118437756

IUPAC3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide
SMILESCCc1ccc(F)c(C(N)=O)c1-c1cncs1
InChIInChI=1S/C12H11FN2OS/c1-2-7-3-4-8(13)11(12(14)16)10(7)9-5-15-6-17-9/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyCGHKEICMDQSWEO-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.61
Rot. Bonds3

About 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide

3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide (PubChem CID 118437756) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide
PubChem CID118437756
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide
SMILESCCc1ccc(F)c(C(N)=O)c1-c1cncs1
InChIInChI=1S/C12H11FN2OS/c1-2-7-3-4-8(13)11(12(14)16)10(7)9-5-15-6-17-9/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyCGHKEICMDQSWEO-UHFFFAOYSA-N
XLogP2.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide 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 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide (CID 118437756) is 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide is CCc1ccc(F)c(C(N)=O)c1-c1cncs1.
What is the InChIKey of 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide?
The InChIKey is CGHKEICMDQSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-7-3-4-8(13)11(12(14)16)10(7)9-5-15-6-17-9/h3-6H,2H2,1H3,(H2,14,16).
What are the key properties of 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide?
3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-2-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 118437756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).