4-fluoro-5-propyl-1,3-thiazole

C6H8FNS — CID 67474828

IUPAC4-fluoro-5-propyl-1,3-thiazole
SMILESCCCc1scnc1F
InChIInChI=1S/C6H8FNS/c1-2-3-5-6(7)8-4-9-5/h4H,2-3H2,1H3
InChIKeyKXXUTBSXWVGZGO-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.23
Rot. Bonds2

About 4-fluoro-5-propyl-1,3-thiazole

4-fluoro-5-propyl-1,3-thiazole (PubChem CID 67474828) has the molecular formula C6H8FNS and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-fluoro-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-fluoro-5-propyl-1,3-thiazole
PubChem CID67474828
Molecular FormulaC6H8FNS
Molecular Weight145.20 g/mol
Exact Mass145.04
IUPAC Name4-fluoro-5-propyl-1,3-thiazole
SMILESCCCc1scnc1F
InChIInChI=1S/C6H8FNS/c1-2-3-5-6(7)8-4-9-5/h4H,2-3H2,1H3
InChIKeyKXXUTBSXWVGZGO-UHFFFAOYSA-N
XLogP2.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propyl-1,3-thiazole?
The IUPAC name of 4-fluoro-5-propyl-1,3-thiazole (CID 67474828) is 4-fluoro-5-propyl-1,3-thiazole.
What is the SMILES notation for 4-fluoro-5-propyl-1,3-thiazole?
The canonical SMILES for 4-fluoro-5-propyl-1,3-thiazole is CCCc1scnc1F.
What is the InChIKey of 4-fluoro-5-propyl-1,3-thiazole?
The InChIKey is KXXUTBSXWVGZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNS/c1-2-3-5-6(7)8-4-9-5/h4H,2-3H2,1H3.
What are the key properties of 4-fluoro-5-propyl-1,3-thiazole?
4-fluoro-5-propyl-1,3-thiazole has a molecular weight of 145.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propyl-1,3-thiazole is sourced from PubChem (CID 67474828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).