thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C9H4F3NOS2 — CID 106782416

IUPACthiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4F3NOS2/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4H
InChIKeyQEUHLUFJOPHCBK-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.45
Rot. Bonds2

About thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782416) has the molecular formula C9H4F3NOS2 and a molecular weight of 263.26 g/mol. Its IUPAC name is thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782416
Molecular FormulaC9H4F3NOS2
Molecular Weight263.26 g/mol
Exact Mass262.97
IUPAC Namethiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4F3NOS2/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4H
InChIKeyQEUHLUFJOPHCBK-UHFFFAOYSA-N
XLogP3.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782416) is thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is QEUHLUFJOPHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NOS2/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4H.
What are the key properties of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 263.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).