2-pentyl-1,3-thiazole

C8H13NS — CID 22150015

IUPAC2-pentyl-1,3-thiazole
SMILESCCCCCc1nccs1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
InChIKeyQFYWDJHDOCZKRF-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.88
Rot. Bonds4

About 2-pentyl-1,3-thiazole

2-pentyl-1,3-thiazole (PubChem CID 22150015) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name2-pentyl-1,3-thiazole
PubChem CID22150015
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-pentyl-1,3-thiazole
SMILESCCCCCc1nccs1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
InChIKeyQFYWDJHDOCZKRF-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 2-pentyl-1,3-thiazole?
The IUPAC name of 2-pentyl-1,3-thiazole (CID 22150015) is 2-pentyl-1,3-thiazole.
What is the SMILES notation for 2-pentyl-1,3-thiazole?
The canonical SMILES for 2-pentyl-1,3-thiazole is CCCCCc1nccs1.
What is the InChIKey of 2-pentyl-1,3-thiazole?
The InChIKey is QFYWDJHDOCZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-pentyl-1,3-thiazole?
2-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 2-pentyl-1,3-thiazole is sourced from PubChem (CID 22150015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).