4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole

C10H10F2N2S — CID 169266296

IUPAC4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole
SMILESC#Cc1nc(N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C10H10F2N2S/c1-2-9-13-8(7-15-9)14-5-3-10(11,12)4-6-14/h1,7H,3-6H2
InChIKeyHBKZJPPCMLRVNH-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.36
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole

4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole (PubChem CID 169266296) has the molecular formula C10H10F2N2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole
PubChem CID169266296
Molecular FormulaC10H10F2N2S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole
SMILESC#Cc1nc(N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C10H10F2N2S/c1-2-9-13-8(7-15-9)14-5-3-10(11,12)4-6-14/h1,7H,3-6H2
InChIKeyHBKZJPPCMLRVNH-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-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-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole (CID 169266296) is 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole is C#Cc1nc(N2CCC(F)(F)CC2)cs1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole?
The InChIKey is HBKZJPPCMLRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2S/c1-2-9-13-8(7-15-9)14-5-3-10(11,12)4-6-14/h1,7H,3-6H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole?
4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole has a molecular weight of 228.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole is sourced from PubChem (CID 169266296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).