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

C6H11N3OS2 — CID 63736608

IUPAC2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESCN(C)c1nnc(SCCO)s1
InChIInChI=1S/C6H11N3OS2/c1-9(2)5-7-8-6(12-5)11-4-3-10/h10H,3-4H2,1-2H3
InChIKeyZAKCVNGWFKFBLX-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.69
Rot. Bonds4

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

2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (PubChem CID 63736608) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
PubChem CID63736608
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESCN(C)c1nnc(SCCO)s1
InChIInChI=1S/C6H11N3OS2/c1-9(2)5-7-8-6(12-5)11-4-3-10/h10H,3-4H2,1-2H3
InChIKeyZAKCVNGWFKFBLX-UHFFFAOYSA-N
XLogP0.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (CID 63736608) is 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is CN(C)c1nnc(SCCO)s1.
What is the InChIKey of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The InChIKey is ZAKCVNGWFKFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-9(2)5-7-8-6(12-5)11-4-3-10/h10H,3-4H2,1-2H3.
What are the key properties of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol has a molecular weight of 205.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 63736608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).