2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole

C14H17FN2S — CID 114429809

IUPAC2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
SMILESCCC1CCNC(c2nc3cc(F)ccc3s2)C1
InChIInChI=1S/C14H17FN2S/c1-2-9-5-6-16-12(7-9)14-17-11-8-10(15)3-4-13(11)18-14/h3-4,8-9,12,16H,2,5-7H2,1H3
InChIKeyLGCATOZECNFMDR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole

2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole (PubChem CID 114429809) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
PubChem CID114429809
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
SMILESCCC1CCNC(c2nc3cc(F)ccc3s2)C1
InChIInChI=1S/C14H17FN2S/c1-2-9-5-6-16-12(7-9)14-17-11-8-10(15)3-4-13(11)18-14/h3-4,8-9,12,16H,2,5-7H2,1H3
InChIKeyLGCATOZECNFMDR-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylpiperidin-2-yl)-5-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-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole
CID 70116443
4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
CID 79705317
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107923388
5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
CID 114430038
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
CID 114427713
5-[2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropyl]-2-methylphenol
CID 139641696
2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole
CID 114427691
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-6-fluoro-1,3-benzothiazole
CID 79147801
5-fluoro-2-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-benzothiazole
CID 166186321
2-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyloxolane-3,4-diol;phosphoric acid
CID 173228470

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole (CID 114429809) is 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole is CCC1CCNC(c2nc3cc(F)ccc3s2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
The InChIKey is LGCATOZECNFMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-9-5-6-16-12(7-9)14-17-11-8-10(15)3-4-13(11)18-14/h3-4,8-9,12,16H,2,5-7H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole has a molecular weight of 264.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 114429809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).