5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole

C8H10ClF2N3S — CID 164657131

IUPAC5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole
SMILESFC1(F)CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C8H10ClF2N3S/c9-7-6(12-13-15-7)5-14-3-1-8(10,11)2-4-14/h1-5H2
InChIKeyOQIIVAYZAOUXDK-UHFFFAOYSA-N
MW253.70 g/mol
LogP2.42
Rot. Bonds2

About 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole

5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole (PubChem CID 164657131) has the molecular formula C8H10ClF2N3S and a molecular weight of 253.70 g/mol. Its IUPAC name is 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole
PubChem CID164657131
Molecular FormulaC8H10ClF2N3S
Molecular Weight253.70 g/mol
Exact Mass253.03
IUPAC Name5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole
SMILESFC1(F)CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C8H10ClF2N3S/c9-7-6(12-13-15-7)5-14-3-1-8(10,11)2-4-14/h1-5H2
InChIKeyOQIIVAYZAOUXDK-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole 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

5-Chloro-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 45798715
5-Chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
CID 52367106
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60890988
N-[(5-chlorothiadiazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61518000
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 61605673
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 61605739
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 61606018
5-Chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 65538925
5-chloro-4-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 93606600
5-chloro-4-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 93606601
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole (CID 164657131) is 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole is FC1(F)CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole?
The InChIKey is OQIIVAYZAOUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3S/c9-7-6(12-13-15-7)5-14-3-1-8(10,11)2-4-14/h1-5H2.
What are the key properties of 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole has a molecular weight of 253.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4,4-difluoropiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 164657131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).