2-butyl-7-fluoro-1,3-benzothiazole

C11H12FNS — CID 175941310

IUPAC2-butyl-7-fluoro-1,3-benzothiazole
SMILESCCCCc1nc2cccc(F)c2s1
InChIInChI=1S/C11H12FNS/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h4-6H,2-3,7H2,1H3
InChIKeyIWNRLNUQWSDBLR-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.78
Rot. Bonds3

About 2-butyl-7-fluoro-1,3-benzothiazole

2-butyl-7-fluoro-1,3-benzothiazole (PubChem CID 175941310) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-butyl-7-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-butyl-7-fluoro-1,3-benzothiazole
PubChem CID175941310
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name2-butyl-7-fluoro-1,3-benzothiazole
SMILESCCCCc1nc2cccc(F)c2s1
InChIInChI=1S/C11H12FNS/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h4-6H,2-3,7H2,1H3
InChIKeyIWNRLNUQWSDBLR-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-7-fluoro-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentyl-1,3-benzothiazole-7-carboxylic acid
CID 138602299
1-(7-fluoro-1,3-benzothiazol-2-yl)ethanamine
CID 45077196
2-butyl-5-fluoro-3H-quinazolin-4-one
CID 137190136
2-butyl-5-iodo-1,3-benzothiazole
CID 166963471
7-fluoro-1,3-benzothiazole-2-carbaldehyde
CID 82408642
2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium
CID 20633244
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
CID 71551050
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
CID 71551097
2,3-dibutylquinoxaline
CID 14641798
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-fluoro-1,3-benzothiazole?
The IUPAC name of 2-butyl-7-fluoro-1,3-benzothiazole (CID 175941310) is 2-butyl-7-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-butyl-7-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-butyl-7-fluoro-1,3-benzothiazole is CCCCc1nc2cccc(F)c2s1.
What is the InChIKey of 2-butyl-7-fluoro-1,3-benzothiazole?
The InChIKey is IWNRLNUQWSDBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-butyl-7-fluoro-1,3-benzothiazole?
2-butyl-7-fluoro-1,3-benzothiazole has a molecular weight of 209.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-fluoro-1,3-benzothiazole is sourced from PubChem (CID 175941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).