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

C13H13FN2OS — CID 118295309

IUPAC3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCCc1ccc(F)c(C(N)=O)c1-c1cnc(C)s1
InChIInChI=1S/C13H13FN2OS/c1-3-8-4-5-9(14)12(13(15)17)11(8)10-6-16-7(2)18-10/h4-6H,3H2,1-2H3,(H2,15,17)
InChIKeyDNOYNCNPTYWIHK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.92
Rot. Bonds3

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

3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 118295309) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID118295309
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCCc1ccc(F)c(C(N)=O)c1-c1cnc(C)s1
InChIInChI=1S/C13H13FN2OS/c1-3-8-4-5-9(14)12(13(15)17)11(8)10-6-16-7(2)18-10/h4-6H,3H2,1-2H3,(H2,15,17)
InChIKeyDNOYNCNPTYWIHK-UHFFFAOYSA-N
XLogP2.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 118295309) is 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide is CCc1ccc(F)c(C(N)=O)c1-c1cnc(C)s1.
What is the InChIKey of 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is DNOYNCNPTYWIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-3-8-4-5-9(14)12(13(15)17)11(8)10-6-16-7(2)18-10/h4-6H,3H2,1-2H3,(H2,15,17).
What are the key properties of 3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide?
3-ethyl-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.92, 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-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 118295309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).