5-fluoro-2-propan-2-yl-1,3-thiazole

C6H8FNS — CID 58477244

IUPAC5-fluoro-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(F)s1
InChIInChI=1S/C6H8FNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3
InChIKeyRZTCYGKCDJNXLR-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.41
Rot. Bonds1

About 5-fluoro-2-propan-2-yl-1,3-thiazole

5-fluoro-2-propan-2-yl-1,3-thiazole (PubChem CID 58477244) has the molecular formula C6H8FNS and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-1,3-thiazole
PubChem CID58477244
Molecular FormulaC6H8FNS
Molecular Weight145.20 g/mol
Exact Mass145.04
IUPAC Name5-fluoro-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(F)s1
InChIInChI=1S/C6H8FNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3
InChIKeyRZTCYGKCDJNXLR-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-fluoro-2-propan-2-yl-1,3-thiazole (CID 58477244) is 5-fluoro-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(F)s1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-1,3-thiazole?
The InChIKey is RZTCYGKCDJNXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-yl-1,3-thiazole?
5-fluoro-2-propan-2-yl-1,3-thiazole has a molecular weight of 145.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58477244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).