3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole

C9H10ClF3N2S — CID 102943880

IUPAC3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCC(c2nc(Cl)ns2)CC1
InChIInChI=1S/C9H10ClF3N2S/c10-8-14-7(16-15-8)5-1-3-6(4-2-5)9(11,12)13/h5-6H,1-4H2
InChIKeyQYFRQSQQZHFPMU-UHFFFAOYSA-N
MW270.71 g/mol
LogP4.03
Rot. Bonds1

About 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole

3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole (PubChem CID 102943880) has the molecular formula C9H10ClF3N2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
PubChem CID102943880
Molecular FormulaC9H10ClF3N2S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC Name3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCC(c2nc(Cl)ns2)CC1
InChIInChI=1S/C9H10ClF3N2S/c10-8-14-7(16-15-8)5-1-3-6(4-2-5)9(11,12)13/h5-6H,1-4H2
InChIKeyQYFRQSQQZHFPMU-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole (CID 102943880) is 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole is FC(F)(F)C1CCC(c2nc(Cl)ns2)CC1.
What is the InChIKey of 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
The InChIKey is QYFRQSQQZHFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2S/c10-8-14-7(16-15-8)5-1-3-6(4-2-5)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
3-chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole has a molecular weight of 270.71 g/mol, XLogP of 4.03, 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-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102943880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).