5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole

C15H26FNS — CID 146376946

IUPAC5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole
SMILESCCCCCCC(C)(CCCC)c1ncc(F)s1
InChIInChI=1S/C15H26FNS/c1-4-6-8-9-11-15(3,10-7-5-2)14-17-12-13(16)18-14/h12H,4-11H2,1-3H3
InChIKeyJMCXIVZRUURDGH-UHFFFAOYSA-N
MW271.44 g/mol
LogP5.70
Rot. Bonds9

About 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole

5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole (PubChem CID 146376946) has the molecular formula C15H26FNS and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole
PubChem CID146376946
Molecular FormulaC15H26FNS
Molecular Weight271.44 g/mol
Exact Mass271.18
IUPAC Name5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole
SMILESCCCCCCC(C)(CCCC)c1ncc(F)s1
InChIInChI=1S/C15H26FNS/c1-4-6-8-9-11-15(3,10-7-5-2)14-17-12-13(16)18-14/h12H,4-11H2,1-3H3
InChIKeyJMCXIVZRUURDGH-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.44
LogP ≤ 55.70
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-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole?
The IUPAC name of 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole (CID 146376946) is 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole is CCCCCCC(C)(CCCC)c1ncc(F)s1.
What is the InChIKey of 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole?
The InChIKey is JMCXIVZRUURDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNS/c1-4-6-8-9-11-15(3,10-7-5-2)14-17-12-13(16)18-14/h12H,4-11H2,1-3H3.
What are the key properties of 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole?
5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole has a molecular weight of 271.44 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-methylundecan-5-yl)-1,3-thiazole is sourced from PubChem (CID 146376946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).