5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol

C7H12N2OS2 — CID 62229733

IUPAC5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESOCCCCCSc1nncs1
InChIInChI=1S/C7H12N2OS2/c10-4-2-1-3-5-11-7-9-8-6-12-7/h6,10H,1-5H2
InChIKeyBYMVHPVJTNNZTO-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.79
Rot. Bonds6

About 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol

5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 62229733) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID62229733
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESOCCCCCSc1nncs1
InChIInChI=1S/C7H12N2OS2/c10-4-2-1-3-5-11-7-9-8-6-12-7/h6,10H,1-5H2
InChIKeyBYMVHPVJTNNZTO-UHFFFAOYSA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 62229733) is 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is OCCCCCSc1nncs1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is BYMVHPVJTNNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c10-4-2-1-3-5-11-7-9-8-6-12-7/h6,10H,1-5H2.
What are the key properties of 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 204.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 62229733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).