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

C10H14F3N3OS — CID 107305750

IUPAC2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
SMILESCN(c1nc(C(F)(F)F)ns1)C1CCCCC1O
InChIInChI=1S/C10H14F3N3OS/c1-16(6-4-2-3-5-7(6)17)9-14-8(15-18-9)10(11,12)13/h6-7,17H,2-5H2,1H3
InChIKeyAPERDCGJLRRFAN-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.30
Rot. Bonds2

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

2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol (PubChem CID 107305750) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
PubChem CID107305750
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
SMILESCN(c1nc(C(F)(F)F)ns1)C1CCCCC1O
InChIInChI=1S/C10H14F3N3OS/c1-16(6-4-2-3-5-7(6)17)9-14-8(15-18-9)10(11,12)13/h6-7,17H,2-5H2,1H3
InChIKeyAPERDCGJLRRFAN-UHFFFAOYSA-N
XLogP2.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65267579
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
CID 107304905
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
CID 107305206
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
CID 107305663
2-[Cyclohexyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305685
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305759
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]ethanol
CID 113944083
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azepan-2-yl]methanol
CID 113944090
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 65273153
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-methylamino]cyclohexan-1-ol
CID 102636018
2-[Methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 102636027

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol (CID 107305750) is 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol is CN(c1nc(C(F)(F)F)ns1)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The InChIKey is APERDCGJLRRFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-16(6-4-2-3-5-7(6)17)9-14-8(15-18-9)10(11,12)13/h6-7,17H,2-5H2,1H3.
What are the key properties of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol has a molecular weight of 281.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 107305750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).