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

C4H4FNS — CID 118466063

IUPAC5-fluoro-3-methyl-1,2-thiazole
SMILESCc1cc(F)sn1
InChIInChI=1S/C4H4FNS/c1-3-2-4(5)7-6-3/h2H,1H3
InChIKeyXIHPWHCUQPOBIE-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.59
Rot. Bonds

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

5-fluoro-3-methyl-1,2-thiazole (PubChem CID 118466063) has the molecular formula C4H4FNS and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-fluoro-3-methyl-1,2-thiazole
PubChem CID118466063
Molecular FormulaC4H4FNS
Molecular Weight117.15 g/mol
Exact Mass117.00
IUPAC Name5-fluoro-3-methyl-1,2-thiazole
SMILESCc1cc(F)sn1
InChIInChI=1S/C4H4FNS/c1-3-2-4(5)7-6-3/h2H,1H3
InChIKeyXIHPWHCUQPOBIE-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 5-fluoro-3-methyl-1,2-thiazole?
The IUPAC name of 5-fluoro-3-methyl-1,2-thiazole (CID 118466063) is 5-fluoro-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-fluoro-3-methyl-1,2-thiazole?
The canonical SMILES for 5-fluoro-3-methyl-1,2-thiazole is Cc1cc(F)sn1.
What is the InChIKey of 5-fluoro-3-methyl-1,2-thiazole?
The InChIKey is XIHPWHCUQPOBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNS/c1-3-2-4(5)7-6-3/h2H,1H3.
What are the key properties of 5-fluoro-3-methyl-1,2-thiazole?
5-fluoro-3-methyl-1,2-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 5-fluoro-3-methyl-1,2-thiazole is sourced from PubChem (CID 118466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).