2-fluoro-5-methyl-1,3-thiazole

C4H4FNS — CID 20691940

IUPAC2-fluoro-5-methyl-1,3-thiazole
SMILESCc1cnc(F)s1
InChIInChI=1S/C4H4FNS/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKeySHVJQZNBSWNSEA-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.59
Rot. Bonds

About 2-fluoro-5-methyl-1,3-thiazole

2-fluoro-5-methyl-1,3-thiazole (PubChem CID 20691940) has the molecular formula C4H4FNS and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-fluoro-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-fluoro-5-methyl-1,3-thiazole
PubChem CID20691940
Molecular FormulaC4H4FNS
Molecular Weight117.15 g/mol
Exact Mass117.00
IUPAC Name2-fluoro-5-methyl-1,3-thiazole
SMILESCc1cnc(F)s1
InChIInChI=1S/C4H4FNS/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKeySHVJQZNBSWNSEA-UHFFFAOYSA-N
XLogP1.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-1,3-thiazole?
The IUPAC name of 2-fluoro-5-methyl-1,3-thiazole (CID 20691940) is 2-fluoro-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-fluoro-5-methyl-1,3-thiazole?
The canonical SMILES for 2-fluoro-5-methyl-1,3-thiazole is Cc1cnc(F)s1.
What is the InChIKey of 2-fluoro-5-methyl-1,3-thiazole?
The InChIKey is SHVJQZNBSWNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNS/c1-3-2-6-4(5)7-3/h2H,1H3.
What are the key properties of 2-fluoro-5-methyl-1,3-thiazole?
2-fluoro-5-methyl-1,3-thiazole has a molecular weight of 117.15 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-1,3-thiazole is sourced from PubChem (CID 20691940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).