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

C11H16F3N3OS — CID 107305021

IUPAC[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H16F3N3OS/c12-11(13,14)9-16-10(19-17-9)15-5-7-3-1-2-4-8(7)6-18/h7-8,18H,1-6H2,(H,15,16,17)
InChIKeyREVGXYWEWWXDSS-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.77
Rot. Bonds4

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

[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol (PubChem CID 107305021) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol
PubChem CID107305021
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H16F3N3OS/c12-11(13,14)9-16-10(19-17-9)15-5-7-3-1-2-4-8(7)6-18/h7-8,18H,1-6H2,(H,15,16,17)
InChIKeyREVGXYWEWWXDSS-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.77
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]cyclohexyl]methanol?
The IUPAC name of [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol (CID 107305021) is [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol?
The InChIKey is REVGXYWEWWXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c12-11(13,14)9-16-10(19-17-9)15-5-7-3-1-2-4-8(7)6-18/h7-8,18H,1-6H2,(H,15,16,17).
What are the key properties of [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol?
[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol has a molecular weight of 295.33 g/mol, XLogP of 2.77, 4 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]cyclohexyl]methanol is sourced from PubChem (CID 107305021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).