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

C5H8N2OS2 — CID 175232171

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESCc1nnc(SC(C)O)s1
InChIInChI=1S/C5H8N2OS2/c1-3-6-7-5(9-3)10-4(2)8/h4,8H,1-2H3
InChIKeyHHCCWQHCSVTVGT-UHFFFAOYSA-N
MW176.27 g/mol
LogP1.28
Rot. Bonds2

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

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (PubChem CID 175232171) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
PubChem CID175232171
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESCc1nnc(SC(C)O)s1
InChIInChI=1S/C5H8N2OS2/c1-3-6-7-5(9-3)10-4(2)8/h4,8H,1-2H3
InChIKeyHHCCWQHCSVTVGT-UHFFFAOYSA-N
XLogP1.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (CID 175232171) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is Cc1nnc(SC(C)O)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The InChIKey is HHCCWQHCSVTVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c1-3-6-7-5(9-3)10-4(2)8/h4,8H,1-2H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol has a molecular weight of 176.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 175232171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).