1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

C6H7F3N2OS2 — CID 63900020

IUPAC1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(O)C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS2/c1-3-10-11-5(14-3)13-2-4(12)6(7,8)9/h4,12H,2H2,1H3
InChIKeyKTHWQTMJTXEQQI-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.86
Rot. Bonds3

About 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 63900020) has the molecular formula C6H7F3N2OS2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID63900020
Molecular FormulaC6H7F3N2OS2
Molecular Weight244.26 g/mol
Exact Mass244.00
IUPAC Name1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(O)C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS2/c1-3-10-11-5(14-3)13-2-4(12)6(7,8)9/h4,12H,2H2,1H3
InChIKeyKTHWQTMJTXEQQI-UHFFFAOYSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

(2R)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99792974
(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99792975
(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
2-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 114449822
2-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 114449823
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
CID 114449824
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 114449825
3-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 114449827
2-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 114449829

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 63900020) is 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SCC(O)C(F)(F)F)s1.
What is the InChIKey of 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is KTHWQTMJTXEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS2/c1-3-10-11-5(14-3)13-2-4(12)6(7,8)9/h4,12H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 244.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 63900020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).