2-ethyl-4-fluoro-1,3-thiazole

C5H6FNS — CID 91863157

IUPAC2-ethyl-4-fluoro-1,3-thiazole
SMILESCCc1nc(F)cs1
InChIInChI=1S/C5H6FNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
InChIKeyMWIPEDCRGCXTJS-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.84
Rot. Bonds1

About 2-ethyl-4-fluoro-1,3-thiazole

2-ethyl-4-fluoro-1,3-thiazole (PubChem CID 91863157) has the molecular formula C5H6FNS and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1,3-thiazole
PubChem CID91863157
Molecular FormulaC5H6FNS
Molecular Weight131.18 g/mol
Exact Mass131.02
IUPAC Name2-ethyl-4-fluoro-1,3-thiazole
SMILESCCc1nc(F)cs1
InChIInChI=1S/C5H6FNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
InChIKeyMWIPEDCRGCXTJS-UHFFFAOYSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1,3-thiazole?
The IUPAC name of 2-ethyl-4-fluoro-1,3-thiazole (CID 91863157) is 2-ethyl-4-fluoro-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-fluoro-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-fluoro-1,3-thiazole is CCc1nc(F)cs1.
What is the InChIKey of 2-ethyl-4-fluoro-1,3-thiazole?
The InChIKey is MWIPEDCRGCXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3.
What are the key properties of 2-ethyl-4-fluoro-1,3-thiazole?
2-ethyl-4-fluoro-1,3-thiazole has a molecular weight of 131.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1,3-thiazole is sourced from PubChem (CID 91863157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).