2-(fluoromethyl)-1,3-thiazole

C4H4FNS — CID 19972928

IUPAC2-(fluoromethyl)-1,3-thiazole
SMILESFCc1nccs1
InChIInChI=1S/C4H4FNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChIKeyUYNOUNGQRZUIRN-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.61
Rot. Bonds1

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

2-(fluoromethyl)-1,3-thiazole (PubChem CID 19972928) has the molecular formula C4H4FNS and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-thiazole
PubChem CID19972928
Molecular FormulaC4H4FNS
Molecular Weight117.15 g/mol
Exact Mass117.00
IUPAC Name2-(fluoromethyl)-1,3-thiazole
SMILESFCc1nccs1
InChIInChI=1S/C4H4FNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChIKeyUYNOUNGQRZUIRN-UHFFFAOYSA-N
XLogP1.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-1,3-thiazole (CID 19972928) is 2-(fluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-1,3-thiazole is FCc1nccs1.
What is the InChIKey of 2-(fluoromethyl)-1,3-thiazole?
The InChIKey is UYNOUNGQRZUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNS/c5-3-4-6-1-2-7-4/h1-2H,3H2.
What are the key properties of 2-(fluoromethyl)-1,3-thiazole?
2-(fluoromethyl)-1,3-thiazole has a molecular weight of 117.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-thiazole is sourced from PubChem (CID 19972928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).