1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

C5H8N2OS2 — CID 60879553

IUPAC1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCC(O)CSc1nncs1
InChIInChI=1S/C5H8N2OS2/c1-4(8)2-9-5-7-6-3-10-5/h3-4,8H,2H2,1H3
InChIKeyDHWJCQZZMAXBLZ-UHFFFAOYSA-N
MW176.27 g/mol
LogP1.01
Rot. Bonds3

About 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 60879553) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID60879553
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCC(O)CSc1nncs1
InChIInChI=1S/C5H8N2OS2/c1-4(8)2-9-5-7-6-3-10-5/h3-4,8H,2H2,1H3
InChIKeyDHWJCQZZMAXBLZ-UHFFFAOYSA-N
XLogP1.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 60879553) is 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is CC(O)CSc1nncs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is DHWJCQZZMAXBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c1-4(8)2-9-5-7-6-3-10-5/h3-4,8H,2H2,1H3.
What are the key properties of 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 176.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 60879553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).