(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol

C8H11F3N2OS2 — CID 99792975

IUPAC(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nnc(CSC[C@@H](O)C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS2/c1-2-6-12-13-7(16-6)4-15-3-5(14)8(9,10)11/h5,14H,2-4H2,1H3/t5-/m1/s1
InChIKeyUYRIZOLYRQVSSN-RXMQYKEDSA-N
MW272.32 g/mol
LogP2.26
Rot. Bonds5

About (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol

(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 99792975) has the molecular formula C8H11F3N2OS2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
PubChem CID99792975
Molecular FormulaC8H11F3N2OS2
Molecular Weight272.32 g/mol
Exact Mass272.03
IUPAC Name(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nnc(CSC[C@@H](O)C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS2/c1-2-6-12-13-7(16-6)4-15-3-5(14)8(9,10)11/h5,14H,2-4H2,1H3/t5-/m1/s1
InChIKeyUYRIZOLYRQVSSN-RXMQYKEDSA-N
XLogP2.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

2-(5-Methyl-1,3,4-thiadiazol-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol
CID 71004645
2-[2-(Trifluoromethylsulfanyl)ethylsulfanyl]-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-ol
CID 87289388
2,2,2-Trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol
CID 123978809
1,1,1-Trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 63900020
(2R)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99792974
(2R)-1,1,1-trifluoro-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 99823864
(2S)-1,1,1-trifluoro-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 99823865
3-[(5-Ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 102562643
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
CID 104985835
1,1,1-Trifluoro-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 121515616
(2S)-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-ol
CID 131963686
1-Fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 165601413

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol (CID 99792975) is (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol is CCc1nnc(CSC[C@@H](O)C(F)(F)F)s1.
What is the InChIKey of (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UYRIZOLYRQVSSN-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11F3N2OS2/c1-2-6-12-13-7(16-6)4-15-3-5(14)8(9,10)11/h5,14H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 272.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 99792975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).