4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole

C11H10FNS — CID 57132884

IUPAC4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole
SMILESFc1ccc(CCc2cscn2)cc1
InChIInChI=1S/C11H10FNS/c12-10-4-1-9(2-5-10)3-6-11-7-14-8-13-11/h1-2,4-5,7-8H,3,6H2
InChIKeyYPWZHQDPDUATNW-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.07
Rot. Bonds3

About 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole

4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole (PubChem CID 57132884) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole
PubChem CID57132884
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole
SMILESFc1ccc(CCc2cscn2)cc1
InChIInChI=1S/C11H10FNS/c12-10-4-1-9(2-5-10)3-6-11-7-14-8-13-11/h1-2,4-5,7-8H,3,6H2
InChIKeyYPWZHQDPDUATNW-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole (CID 57132884) is 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole is Fc1ccc(CCc2cscn2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole?
The InChIKey is YPWZHQDPDUATNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c12-10-4-1-9(2-5-10)3-6-11-7-14-8-13-11/h1-2,4-5,7-8H,3,6H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole?
4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole has a molecular weight of 207.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-1,3-thiazole is sourced from PubChem (CID 57132884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).