5-pentyl-1,3-thiazole

C8H13NS — CID 15936159

IUPAC5-pentyl-1,3-thiazole
SMILESCCCCCc1cncs1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3
InChIKeyGSIZIOFGSQLTRR-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.88
Rot. Bonds4

About 5-pentyl-1,3-thiazole

5-pentyl-1,3-thiazole (PubChem CID 15936159) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-pentyl-1,3-thiazole.

Molecular Properties

Compound Name5-pentyl-1,3-thiazole
PubChem CID15936159
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-pentyl-1,3-thiazole
SMILESCCCCCc1cncs1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3
InChIKeyGSIZIOFGSQLTRR-UHFFFAOYSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentyl-1,3-thiazole?
The IUPAC name of 5-pentyl-1,3-thiazole (CID 15936159) is 5-pentyl-1,3-thiazole.
What is the SMILES notation for 5-pentyl-1,3-thiazole?
The canonical SMILES for 5-pentyl-1,3-thiazole is CCCCCc1cncs1.
What is the InChIKey of 5-pentyl-1,3-thiazole?
The InChIKey is GSIZIOFGSQLTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3.
What are the key properties of 5-pentyl-1,3-thiazole?
5-pentyl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,3-thiazole is sourced from PubChem (CID 15936159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).