4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole

C9H6FNS2 — CID 57382628

IUPAC4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole
SMILESC=C(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C9H6FNS2/c1-6(10)7-5-13-9(11-7)8-3-2-4-12-8/h2-5H,1H2
InChIKeyAGMRGGHNQBEDEB-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.81
Rot. Bonds2

About 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole

4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 57382628) has the molecular formula C9H6FNS2 and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID57382628
Molecular FormulaC9H6FNS2
Molecular Weight211.29 g/mol
Exact Mass210.99
IUPAC Name4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole
SMILESC=C(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C9H6FNS2/c1-6(10)7-5-13-9(11-7)8-3-2-4-12-8/h2-5H,1H2
InChIKeyAGMRGGHNQBEDEB-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole (CID 57382628) is 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole is C=C(F)c1csc(-c2cccs2)n1.
What is the InChIKey of 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is AGMRGGHNQBEDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNS2/c1-6(10)7-5-13-9(11-7)8-3-2-4-12-8/h2-5H,1H2.
What are the key properties of 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole?
4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 211.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 57382628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).