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

C8H12FNS — CID 67086803

IUPAC2-(1-fluoropentyl)-1,3-thiazole
SMILESCCCCC(F)c1nccs1
InChIInChI=1S/C8H12FNS/c1-2-3-4-7(9)8-10-5-6-11-8/h5-7H,2-4H2,1H3
InChIKeyWBCZENZFIBFYOQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.34
Rot. Bonds4

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

2-(1-fluoropentyl)-1,3-thiazole (PubChem CID 67086803) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(1-fluoropentyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-fluoropentyl)-1,3-thiazole
PubChem CID67086803
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name2-(1-fluoropentyl)-1,3-thiazole
SMILESCCCCC(F)c1nccs1
InChIInChI=1S/C8H12FNS/c1-2-3-4-7(9)8-10-5-6-11-8/h5-7H,2-4H2,1H3
InChIKeyWBCZENZFIBFYOQ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isobutylthiazole
CID 62725
2-Ethylthiazole
CID 85053
2-(1-Methylpropyl)thiazole
CID 519539
2-Propylthiazole
CID 87198
2-Butylthiazole
CID 3015925
2-(Sec-Butyl)Thiazole
CID 5289510
2-Pentylthiazole
CID 22150015
2-(Tert-butyl)thiazole
CID 580980
2-Isopropylthiazole
CID 85054
2-Cyclopropyl-1,3-thiazole
CID 45788858
3-(1,3-Thiazol-2-yl)propan-1-amine
CID 11686921
2-Cyclopentyl-1,3-thiazole
CID 16206151

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropentyl)-1,3-thiazole?
The IUPAC name of 2-(1-fluoropentyl)-1,3-thiazole (CID 67086803) is 2-(1-fluoropentyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-fluoropentyl)-1,3-thiazole?
The canonical SMILES for 2-(1-fluoropentyl)-1,3-thiazole is CCCCC(F)c1nccs1.
What is the InChIKey of 2-(1-fluoropentyl)-1,3-thiazole?
The InChIKey is WBCZENZFIBFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-2-3-4-7(9)8-10-5-6-11-8/h5-7H,2-4H2,1H3.
What are the key properties of 2-(1-fluoropentyl)-1,3-thiazole?
2-(1-fluoropentyl)-1,3-thiazole has a molecular weight of 173.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropentyl)-1,3-thiazole is sourced from PubChem (CID 67086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).