3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole

C11H14F2N2OS — CID 126954584

IUPAC3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole
SMILESFC1(F)CCC(Oc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H14F2N2OS/c12-11(13)5-3-8(4-6-11)16-10-14-9(15-17-10)7-1-2-7/h7-8H,1-6H2
InChIKeyFATJGMFXIOLSTN-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.37
Rot. Bonds3

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

3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole (PubChem CID 126954584) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole
PubChem CID126954584
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole
SMILESFC1(F)CCC(Oc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H14F2N2OS/c12-11(13)5-3-8(4-6-11)16-10-14-9(15-17-10)7-1-2-7/h7-8H,1-6H2
InChIKeyFATJGMFXIOLSTN-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole
CID 167027025
5-[(4,4-Difluorocyclohexyl)oxy]-3-methyl-1,2,4-thiadiazole
CID 126954296
3-Cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
CID 126954582

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole (CID 126954584) is 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole is FC1(F)CCC(Oc2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole?
The InChIKey is FATJGMFXIOLSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c12-11(13)5-3-8(4-6-11)16-10-14-9(15-17-10)7-1-2-7/h7-8H,1-6H2.
What are the key properties of 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole?
3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole has a molecular weight of 260.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4,4-difluorocyclohexyl)oxy-1,2,4-thiadiazole is sourced from PubChem (CID 126954584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).