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

C4H3F3N2OS — CID 83959827

IUPAC[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
SMILESOCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKeyKZQLVIZINSWSIT-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.05
Rot. Bonds1

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

[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol (PubChem CID 83959827) has the molecular formula C4H3F3N2OS and a molecular weight of 184.14 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
PubChem CID83959827
Molecular FormulaC4H3F3N2OS
Molecular Weight184.14 g/mol
Exact Mass183.99
IUPAC Name[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
SMILESOCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKeyKZQLVIZINSWSIT-UHFFFAOYSA-N
XLogP1.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
(3-Methyl-1,2,4-thiadiazol-5-yl)methanol
CID 91647791
3-[Difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole
CID 148542726
2-[2,2-Difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484209
2-[2,2,2-Trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107484390
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484503
(5-Methyl-1,2,4-thiadiazol-3-yl)methanol
CID 20649090
[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]methanol
CID 165914211

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol (CID 83959827) is [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol is OCc1nsc(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
The InChIKey is KZQLVIZINSWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2.
What are the key properties of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol has a molecular weight of 184.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol is sourced from PubChem (CID 83959827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).