2-(5-fluoropentyl)-1,3-thiazole

C8H12FNS — CID 67086806

IUPAC2-(5-fluoropentyl)-1,3-thiazole
SMILESFCCCCCc1nccs1
InChIInChI=1S/C8H12FNS/c9-5-3-1-2-4-8-10-6-7-11-8/h6-7H,1-5H2
InChIKeyWWXUNRPCXFGHNN-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.83
Rot. Bonds5

About 2-(5-fluoropentyl)-1,3-thiazole

2-(5-fluoropentyl)-1,3-thiazole (PubChem CID 67086806) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(5-fluoropentyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoropentyl)-1,3-thiazole
PubChem CID67086806
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name2-(5-fluoropentyl)-1,3-thiazole
SMILESFCCCCCc1nccs1
InChIInChI=1S/C8H12FNS/c9-5-3-1-2-4-8-10-6-7-11-8/h6-7H,1-5H2
InChIKeyWWXUNRPCXFGHNN-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.83
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-(5-fluoropentyl)-1,3-thiazole?
The IUPAC name of 2-(5-fluoropentyl)-1,3-thiazole (CID 67086806) is 2-(5-fluoropentyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoropentyl)-1,3-thiazole?
The canonical SMILES for 2-(5-fluoropentyl)-1,3-thiazole is FCCCCCc1nccs1.
What is the InChIKey of 2-(5-fluoropentyl)-1,3-thiazole?
The InChIKey is WWXUNRPCXFGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c9-5-3-1-2-4-8-10-6-7-11-8/h6-7H,1-5H2.
What are the key properties of 2-(5-fluoropentyl)-1,3-thiazole?
2-(5-fluoropentyl)-1,3-thiazole has a molecular weight of 173.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropentyl)-1,3-thiazole is sourced from PubChem (CID 67086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).