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

C5H8N2OS — CID 67246374

IUPAC3-(1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESOCCCc1nncs1
InChIInChI=1S/C5H8N2OS/c8-3-1-2-5-7-6-4-9-5/h4,8H,1-3H2
InChIKeyBSNNBVJSPUPXGA-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.46
Rot. Bonds3

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

3-(1,3,4-thiadiazol-2-yl)propan-1-ol (PubChem CID 67246374) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-yl)propan-1-ol
PubChem CID67246374
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-(1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESOCCCc1nncs1
InChIInChI=1S/C5H8N2OS/c8-3-1-2-5-7-6-4-9-5/h4,8H,1-3H2
InChIKeyBSNNBVJSPUPXGA-UHFFFAOYSA-N
XLogP0.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-yl)propan-1-ol?
The IUPAC name of 3-(1,3,4-thiadiazol-2-yl)propan-1-ol (CID 67246374) is 3-(1,3,4-thiadiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-yl)propan-1-ol is OCCCc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-yl)propan-1-ol?
The InChIKey is BSNNBVJSPUPXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c8-3-1-2-5-7-6-4-9-5/h4,8H,1-3H2.
What are the key properties of 3-(1,3,4-thiadiazol-2-yl)propan-1-ol?
3-(1,3,4-thiadiazol-2-yl)propan-1-ol has a molecular weight of 144.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-yl)propan-1-ol is sourced from PubChem (CID 67246374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).