5-pentyl-1,2,4-thiadiazole

C7H12N2S — CID 76541463

IUPAC5-pentyl-1,2,4-thiadiazole
SMILESCCCCCc1ncns1
InChIInChI=1S/C7H12N2S/c1-2-3-4-5-7-8-6-9-10-7/h6H,2-5H2,1H3
InChIKeyLKLGHSXBNGADBC-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.27
Rot. Bonds4

About 5-pentyl-1,2,4-thiadiazole

5-pentyl-1,2,4-thiadiazole (PubChem CID 76541463) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-pentyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-pentyl-1,2,4-thiadiazole
PubChem CID76541463
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-pentyl-1,2,4-thiadiazole
SMILESCCCCCc1ncns1
InChIInChI=1S/C7H12N2S/c1-2-3-4-5-7-8-6-9-10-7/h6H,2-5H2,1H3
InChIKeyLKLGHSXBNGADBC-UHFFFAOYSA-N
XLogP2.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Pentyl-1,2,4-thiadiazol-3-amine
CID 12246466
3-Propyl-1,2,4-thiadiazole
CID 17845902
5-Propan-2-yl-1,2,4-thiadiazole
CID 20613646
5-Methyl-1,2,4-thiadiazole
CID 21258632
5-Tert-butyl-1,2,4-thiadiazole
CID 23383498
5-Ethyl-1,2,4-thiadiazole
CID 23552424
5-Cyclopropyl-1,2,4-thiadiazole
CID 54081873
3-Pentyl-1,2,4-thiadiazole
CID 54233965
3-Butyl-1,2,4-thiadiazole
CID 54453274
1-(1,2,4-Thiadiazol-5-yl)propan-2-imine
CID 54474176
5-Propyl-1,2,4-thiadiazole
CID 57105303
CID 58533541
CID 58533541

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1,2,4-thiadiazole?
The IUPAC name of 5-pentyl-1,2,4-thiadiazole (CID 76541463) is 5-pentyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-pentyl-1,2,4-thiadiazole?
The canonical SMILES for 5-pentyl-1,2,4-thiadiazole is CCCCCc1ncns1.
What is the InChIKey of 5-pentyl-1,2,4-thiadiazole?
The InChIKey is LKLGHSXBNGADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-3-4-5-7-8-6-9-10-7/h6H,2-5H2,1H3.
What are the key properties of 5-pentyl-1,2,4-thiadiazole?
5-pentyl-1,2,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2,4-thiadiazole is sourced from PubChem (CID 76541463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).