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

C10H8FNS — CID 57428845

IUPAC2-[(4-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccc(Cc2nccs2)cc1
InChIInChI=1S/C10H8FNS/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-6H,7H2
InChIKeyKGLHEVDSQZXRDF-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.87
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 57428845) has the molecular formula C10H8FNS and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,3-thiazole
PubChem CID57428845
Molecular FormulaC10H8FNS
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Name2-[(4-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccc(Cc2nccs2)cc1
InChIInChI=1S/C10H8FNS/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-6H,7H2
InChIKeyKGLHEVDSQZXRDF-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-thiazole (CID 57428845) is 2-[(4-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,3-thiazole is Fc1ccc(Cc2nccs2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is KGLHEVDSQZXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-6H,7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,3-thiazole?
2-[(4-fluorophenyl)methyl]-1,3-thiazole has a molecular weight of 193.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 57428845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).