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

C10H16F3N3OS — CID 106115687

IUPAC3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H16F3N3OS/c1-2-3-7(4-5-17)6-14-9-15-8(16-18-9)10(11,12)13/h7,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyWMZBQIKPCNROQT-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds7

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

3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol (PubChem CID 106115687) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol
PubChem CID106115687
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H16F3N3OS/c1-2-3-7(4-5-17)6-14-9-15-8(16-18-9)10(11,12)13/h7,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyWMZBQIKPCNROQT-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol (CID 106115687) is 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol?
The InChIKey is WMZBQIKPCNROQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-2-3-7(4-5-17)6-14-9-15-8(16-18-9)10(11,12)13/h7,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol?
3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol has a molecular weight of 283.32 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).