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

C12H11FN2OS — CID 118437758

IUPAC2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide
SMILESCCc1c(-c2cncs2)ccc(F)c1C(N)=O
InChIInChI=1S/C12H11FN2OS/c1-2-7-8(10-5-15-6-17-10)3-4-9(13)11(7)12(14)16/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyGVBSNBPGZRGNLE-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.61
Rot. Bonds3

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

2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide (PubChem CID 118437758) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide
PubChem CID118437758
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide
SMILESCCc1c(-c2cncs2)ccc(F)c1C(N)=O
InChIInChI=1S/C12H11FN2OS/c1-2-7-8(10-5-15-6-17-10)3-4-9(13)11(7)12(14)16/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyGVBSNBPGZRGNLE-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide (CID 118437758) is 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide is CCc1c(-c2cncs2)ccc(F)c1C(N)=O.
What is the InChIKey of 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide?
The InChIKey is GVBSNBPGZRGNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-7-8(10-5-15-6-17-10)3-4-9(13)11(7)12(14)16/h3-6H,2H2,1H3,(H2,14,16).
What are the key properties of 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide?
2-ethyl-6-fluoro-3-(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 2-ethyl-6-fluoro-3-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 118437758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).