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

C10H8FNS — CID 173001083

IUPAC4-[(3-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1cccc(Cc2cscn2)c1
InChIInChI=1S/C10H8FNS/c11-9-3-1-2-8(4-9)5-10-6-13-7-12-10/h1-4,6-7H,5H2
InChIKeyNVYPMIIDSVSUSM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.87
Rot. Bonds2

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

4-[(3-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 173001083) has the molecular formula C10H8FNS and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1,3-thiazole
PubChem CID173001083
Molecular FormulaC10H8FNS
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Name4-[(3-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1cccc(Cc2cscn2)c1
InChIInChI=1S/C10H8FNS/c11-9-3-1-2-8(4-9)5-10-6-13-7-12-10/h1-4,6-7H,5H2
InChIKeyNVYPMIIDSVSUSM-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 4-[(3-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1,3-thiazole (CID 173001083) is 4-[(3-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1,3-thiazole is Fc1cccc(Cc2cscn2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is NVYPMIIDSVSUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS/c11-9-3-1-2-8(4-9)5-10-6-13-7-12-10/h1-4,6-7H,5H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-1,3-thiazole?
4-[(3-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 4-[(3-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 173001083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).