[4-(trifluoromethyl)thiadiazol-5-yl]methanol

C4H3F3N2OS — CID 130129698

IUPAC[4-(trifluoromethyl)thiadiazol-5-yl]methanol
SMILESOCc1snnc1C(F)(F)F
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)3-2(1-10)11-9-8-3/h10H,1H2
InChIKeyZPCUMLICNMDQRK-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.05
Rot. Bonds1

About [4-(trifluoromethyl)thiadiazol-5-yl]methanol

[4-(trifluoromethyl)thiadiazol-5-yl]methanol (PubChem CID 130129698) has the molecular formula C4H3F3N2OS and a molecular weight of 184.14 g/mol. Its IUPAC name is [4-(trifluoromethyl)thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)thiadiazol-5-yl]methanol
PubChem CID130129698
Molecular FormulaC4H3F3N2OS
Molecular Weight184.14 g/mol
Exact Mass183.99
IUPAC Name[4-(trifluoromethyl)thiadiazol-5-yl]methanol
SMILESOCc1snnc1C(F)(F)F
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)3-2(1-10)11-9-8-3/h10H,1H2
InChIKeyZPCUMLICNMDQRK-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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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)thiadiazol-5-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)thiadiazol-5-yl]methanol (CID 130129698) is [4-(trifluoromethyl)thiadiazol-5-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)thiadiazol-5-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)thiadiazol-5-yl]methanol is OCc1snnc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)thiadiazol-5-yl]methanol?
The InChIKey is ZPCUMLICNMDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS/c5-4(6,7)3-2(1-10)11-9-8-3/h10H,1H2.
What are the key properties of [4-(trifluoromethyl)thiadiazol-5-yl]methanol?
[4-(trifluoromethyl)thiadiazol-5-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 [4-(trifluoromethyl)thiadiazol-5-yl]methanol is sourced from PubChem (CID 130129698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).