(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol

C7H9F3N2OS2 — CID 131963686

IUPAC(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
SMILESCC[C@H](O)CSc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS2/c1-2-4(13)3-14-6-12-11-5(15-6)7(8,9)10/h4,13H,2-3H2,1H3/t4-/m0/s1
InChIKeyUEHJXLRBVBLZMT-BYPYZUCNSA-N
MW258.29 g/mol
LogP2.42
Rot. Bonds4

About (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol

(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol (PubChem CID 131963686) has the molecular formula C7H9F3N2OS2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
PubChem CID131963686
Molecular FormulaC7H9F3N2OS2
Molecular Weight258.29 g/mol
Exact Mass258.01
IUPAC Name(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
SMILESCC[C@H](O)CSc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS2/c1-2-4(13)3-14-6-12-11-5(15-6)7(8,9)10/h4,13H,2-3H2,1H3/t4-/m0/s1
InChIKeyUEHJXLRBVBLZMT-BYPYZUCNSA-N
XLogP2.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
The IUPAC name of (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol (CID 131963686) is (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
The canonical SMILES for (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol is CC[C@H](O)CSc1nnc(C(F)(F)F)s1.
What is the InChIKey of (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
The InChIKey is UEHJXLRBVBLZMT-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9F3N2OS2/c1-2-4(13)3-14-6-12-11-5(15-6)7(8,9)10/h4,13H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol?
(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol has a molecular weight of 258.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 131963686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).