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

C8H4F3NS2 — CID 116891696

IUPAC2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C8H4F3NS2/c9-8(10,11)6-4-14-7(12-6)5-2-1-3-13-5/h1-4H
InChIKeyPFIZQSHMQFOWQH-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.89
Rot. Bonds1

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

2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 116891696) has the molecular formula C8H4F3NS2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID116891696
Molecular FormulaC8H4F3NS2
Molecular Weight235.26 g/mol
Exact Mass234.97
IUPAC Name2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C8H4F3NS2/c9-8(10,11)6-4-14-7(12-6)5-2-1-3-13-5/h1-4H
InChIKeyPFIZQSHMQFOWQH-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 116891696) is 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PFIZQSHMQFOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NS2/c9-8(10,11)6-4-14-7(12-6)5-2-1-3-13-5/h1-4H.
What are the key properties of 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole?
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 235.26 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 116891696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).