5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole

C11H16F2N2OS — CID 167027025

IUPAC5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(O[C@H]2CCCC(F)(F)C2)n1
InChIInChI=1S/C11H16F2N2OS/c1-7(2)9-14-10(17-15-9)16-8-4-3-5-11(12,13)6-8/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySYWQSSXXJCYXCN-QMMMGPOBSA-N
MW262.32 g/mol
LogP3.62
Rot. Bonds3

About 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole

5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 167027025) has the molecular formula C11H16F2N2OS and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID167027025
Molecular FormulaC11H16F2N2OS
Molecular Weight262.32 g/mol
Exact Mass262.10
IUPAC Name5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(O[C@H]2CCCC(F)(F)C2)n1
InChIInChI=1S/C11H16F2N2OS/c1-7(2)9-14-10(17-15-9)16-8-4-3-5-11(12,13)6-8/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySYWQSSXXJCYXCN-QMMMGPOBSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole (CID 167027025) is 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(O[C@H]2CCCC(F)(F)C2)n1.
What is the InChIKey of 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is SYWQSSXXJCYXCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F2N2OS/c1-7(2)9-14-10(17-15-9)16-8-4-3-5-11(12,13)6-8/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole?
5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 262.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-3,3-difluorocyclohexyl]oxy-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 167027025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).