4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole

C8H8FNS — CID 167483095

IUPAC4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole
SMILESC=Cc1nc(C)sc1C(=C)F
InChIInChI=1S/C8H8FNS/c1-4-7-8(5(2)9)11-6(3)10-7/h4H,1-2H2,3H3
InChIKeyJSPHJVJVBPFNGI-UHFFFAOYSA-N
MW169.22 g/mol
LogP3.03
Rot. Bonds2

About 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole

4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole (PubChem CID 167483095) has the molecular formula C8H8FNS and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole
PubChem CID167483095
Molecular FormulaC8H8FNS
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole
SMILESC=Cc1nc(C)sc1C(=C)F
InChIInChI=1S/C8H8FNS/c1-4-7-8(5(2)9)11-6(3)10-7/h4H,1-2H2,3H3
InChIKeyJSPHJVJVBPFNGI-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole (CID 167483095) is 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole is C=Cc1nc(C)sc1C(=C)F.
What is the InChIKey of 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole?
The InChIKey is JSPHJVJVBPFNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNS/c1-4-7-8(5(2)9)11-6(3)10-7/h4H,1-2H2,3H3.
What are the key properties of 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole?
4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole has a molecular weight of 169.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 167483095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).