4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole

C8H10ClFN2S — CID 164651185

IUPAC4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C8H10ClFN2S/c9-7-5-13-8(11-7)12-3-1-6(10)2-4-12/h5-6H,1-4H2
InChIKeyDDNVSVTYWJRCDA-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.73
Rot. Bonds1

About 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole

4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole (PubChem CID 164651185) has the molecular formula C8H10ClFN2S and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole
PubChem CID164651185
Molecular FormulaC8H10ClFN2S
Molecular Weight220.70 g/mol
Exact Mass220.02
IUPAC Name4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C8H10ClFN2S/c9-7-5-13-8(11-7)12-3-1-6(10)2-4-12/h5-6H,1-4H2
InChIKeyDDNVSVTYWJRCDA-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(4-fluoropiperidin-1-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 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole (CID 164651185) is 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole is FC1CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
The InChIKey is DDNVSVTYWJRCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2S/c9-7-5-13-8(11-7)12-3-1-6(10)2-4-12/h5-6H,1-4H2.
What are the key properties of 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole has a molecular weight of 220.70 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluoropiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 164651185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).