1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

C12H11F3N2OS — CID 47023830

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCc1nc(Cn2cccc(C(F)(F)F)c2=O)cs1
InChIInChI=1S/C12H11F3N2OS/c1-2-10-16-8(7-19-10)6-17-5-3-4-9(11(17)18)12(13,14)15/h3-5,7H,2,6H2,1H3
InChIKeyCCJNJVUBESLPDL-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.93
Rot. Bonds3

About 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 47023830) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID47023830
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCc1nc(Cn2cccc(C(F)(F)F)c2=O)cs1
InChIInChI=1S/C12H11F3N2OS/c1-2-10-16-8(7-19-10)6-17-5-3-4-9(11(17)18)12(13,14)15/h3-5,7H,2,6H2,1H3
InChIKeyCCJNJVUBESLPDL-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 47023830) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is CCc1nc(Cn2cccc(C(F)(F)F)c2=O)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is CCJNJVUBESLPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-2-10-16-8(7-19-10)6-17-5-3-4-9(11(17)18)12(13,14)15/h3-5,7H,2,6H2,1H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 47023830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).