3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol

C7H10F3N3OS2 — CID 63900853

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1nnc(SCC(O)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS2/c1-13(2)5-11-12-6(16-5)15-3-4(14)7(8,9)10/h4,14H,3H2,1-2H3
InChIKeyHCCAQZQZWOBQTM-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.62
Rot. Bonds4

About 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900853) has the molecular formula C7H10F3N3OS2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol
PubChem CID63900853
Molecular FormulaC7H10F3N3OS2
Molecular Weight273.31 g/mol
Exact Mass273.02
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1nnc(SCC(O)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS2/c1-13(2)5-11-12-6(16-5)15-3-4(14)7(8,9)10/h4,14H,3H2,1-2H3
InChIKeyHCCAQZQZWOBQTM-UHFFFAOYSA-N
XLogP1.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol (CID 63900853) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol is CN(C)c1nnc(SCC(O)C(F)(F)F)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HCCAQZQZWOBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS2/c1-13(2)5-11-12-6(16-5)15-3-4(14)7(8,9)10/h4,14H,3H2,1-2H3.
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 273.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).