2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol

C10H14F3N3OS — CID 107304997

IUPAC2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-5-6-3-1-2-4-7(6)17/h6-7,17H,1-5H2,(H,14,15,16)
InChIKeyKKQUOSQMMRMYSB-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.52
Rot. Bonds3

About 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol

2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 107304997) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
PubChem CID107304997
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-5-6-3-1-2-4-7(6)17/h6-7,17H,1-5H2,(H,14,15,16)
InChIKeyKKQUOSQMMRMYSB-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (CID 107304997) is 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is KKQUOSQMMRMYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-5-6-3-1-2-4-7(6)17/h6-7,17H,1-5H2,(H,14,15,16).
What are the key properties of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 281.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107304997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).