3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole

C8H9ClF2N2S — CID 102944032

IUPAC3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
SMILESFC1(F)CCC(c2nc(Cl)ns2)CC1
InChIInChI=1S/C8H9ClF2N2S/c9-7-12-6(14-13-7)5-1-3-8(10,11)4-2-5/h5H,1-4H2
InChIKeyOKNDLKJUBGIIQF-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.48
Rot. Bonds1

About 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole

3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole (PubChem CID 102944032) has the molecular formula C8H9ClF2N2S and a molecular weight of 238.69 g/mol. Its IUPAC name is 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
PubChem CID102944032
Molecular FormulaC8H9ClF2N2S
Molecular Weight238.69 g/mol
Exact Mass238.01
IUPAC Name3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
SMILESFC1(F)CCC(c2nc(Cl)ns2)CC1
InChIInChI=1S/C8H9ClF2N2S/c9-7-12-6(14-13-7)5-1-3-8(10,11)4-2-5/h5H,1-4H2
InChIKeyOKNDLKJUBGIIQF-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-cyclohexyl-1,2,4-thiadiazole
CID 65267255
5-cyclohexyl-3-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-1,2,4-thiadiazole
CID 153448003
5-[3-(Trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-3-amine
CID 81934020
5-(4,4-Difluorocyclohexyl)-1,2,4-thiadiazol-3-amine
CID 81934047
5-[4-(Trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-3-amine
CID 81934048
3-Bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943215
3-Bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943291
3-Bromo-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943337
3-Bromo-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
CID 102943368
3-Iodo-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943545
3-Iodo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943621
3-Iodo-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole (CID 102944032) is 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole is FC1(F)CCC(c2nc(Cl)ns2)CC1.
What is the InChIKey of 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole?
The InChIKey is OKNDLKJUBGIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2S/c9-7-12-6(14-13-7)5-1-3-8(10,11)4-2-5/h5H,1-4H2.
What are the key properties of 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole?
3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole has a molecular weight of 238.69 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).