1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one

C10H7F3N2OS — CID 72837853

IUPAC1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1nccs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)7-2-1-4-15(9(7)16)6-8-14-3-5-17-8/h1-5H,6H2
InChIKeyRJAFJMNYHULSQA-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.37
Rot. Bonds2

About 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one

1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72837853) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID72837853
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1nccs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)7-2-1-4-15(9(7)16)6-8-14-3-5-17-8/h1-5H,6H2
InChIKeyRJAFJMNYHULSQA-UHFFFAOYSA-N
XLogP2.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one (CID 72837853) is 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is RJAFJMNYHULSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)7-2-1-4-15(9(7)16)6-8-14-3-5-17-8/h1-5H,6H2.
What are the key properties of 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 260.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72837853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).