4-fluoro-2-pentyl-1,3-thiazole

C8H12FNS — CID 67086807

IUPAC4-fluoro-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(F)cs1
InChIInChI=1S/C8H12FNS/c1-2-3-4-5-8-10-7(9)6-11-8/h6H,2-5H2,1H3
InChIKeyGXYXTNZREHLPKZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.01
Rot. Bonds4

About 4-fluoro-2-pentyl-1,3-thiazole

4-fluoro-2-pentyl-1,3-thiazole (PubChem CID 67086807) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-fluoro-2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name4-fluoro-2-pentyl-1,3-thiazole
PubChem CID67086807
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name4-fluoro-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(F)cs1
InChIInChI=1S/C8H12FNS/c1-2-3-4-5-8-10-7(9)6-11-8/h6H,2-5H2,1H3
InChIKeyGXYXTNZREHLPKZ-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.01
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 4-fluoro-2-pentyl-1,3-thiazole?
The IUPAC name of 4-fluoro-2-pentyl-1,3-thiazole (CID 67086807) is 4-fluoro-2-pentyl-1,3-thiazole.
What is the SMILES notation for 4-fluoro-2-pentyl-1,3-thiazole?
The canonical SMILES for 4-fluoro-2-pentyl-1,3-thiazole is CCCCCc1nc(F)cs1.
What is the InChIKey of 4-fluoro-2-pentyl-1,3-thiazole?
The InChIKey is GXYXTNZREHLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-2-3-4-5-8-10-7(9)6-11-8/h6H,2-5H2,1H3.
What are the key properties of 4-fluoro-2-pentyl-1,3-thiazole?
4-fluoro-2-pentyl-1,3-thiazole has a molecular weight of 173.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pentyl-1,3-thiazole is sourced from PubChem (CID 67086807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).