2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole

C12H19FN2S — CID 174585514

IUPAC2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
SMILESCC(C)CN1CCC(F)(c2nccs2)CC1
InChIInChI=1S/C12H19FN2S/c1-10(2)9-15-6-3-12(13,4-7-15)11-14-5-8-16-11/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyQVLAMBNCRRXLRI-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.06
Rot. Bonds3

About 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole

2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 174585514) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
PubChem CID174585514
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
SMILESCC(C)CN1CCC(F)(c2nccs2)CC1
InChIInChI=1S/C12H19FN2S/c1-10(2)9-15-6-3-12(13,4-7-15)11-14-5-8-16-11/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyQVLAMBNCRRXLRI-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole 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 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole (CID 174585514) is 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole is CC(C)CN1CCC(F)(c2nccs2)CC1.
What is the InChIKey of 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is QVLAMBNCRRXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-10(2)9-15-6-3-12(13,4-7-15)11-14-5-8-16-11/h5,8,10H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole?
2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 242.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 174585514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).