3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol

C8H14N2O2S2 — CID 79682727

IUPAC3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
SMILESCCCc1nsc(SCC(O)CO)n1
InChIInChI=1S/C8H14N2O2S2/c1-2-3-7-9-8(14-10-7)13-5-6(12)4-11/h6,11-12H,2-5H2,1H3
InChIKeyHZTPIBCPQVPADW-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.94
Rot. Bonds6

About 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol

3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol (PubChem CID 79682727) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
PubChem CID79682727
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
SMILESCCCc1nsc(SCC(O)CO)n1
InChIInChI=1S/C8H14N2O2S2/c1-2-3-7-9-8(14-10-7)13-5-6(12)4-11/h6,11-12H,2-5H2,1H3
InChIKeyHZTPIBCPQVPADW-UHFFFAOYSA-N
XLogP0.94
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol (CID 79682727) is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol is CCCc1nsc(SCC(O)CO)n1.
What is the InChIKey of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol?
The InChIKey is HZTPIBCPQVPADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-2-3-7-9-8(14-10-7)13-5-6(12)4-11/h6,11-12H,2-5H2,1H3.
What are the key properties of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol?
3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol has a molecular weight of 234.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol is sourced from PubChem (CID 79682727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).