1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

C13H13F3N2OS — CID 72900662

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCc1nc(Cn2c(C)cc(C(F)(F)F)cc2=O)cs1
InChIInChI=1S/C13H13F3N2OS/c1-3-11-17-10(7-20-11)6-18-8(2)4-9(5-12(18)19)13(14,15)16/h4-5,7H,3,6H2,1-2H3
InChIKeyOZACZCKMGLEAIW-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.24
Rot. Bonds3

About 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72900662) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID72900662
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCc1nc(Cn2c(C)cc(C(F)(F)F)cc2=O)cs1
InChIInChI=1S/C13H13F3N2OS/c1-3-11-17-10(7-20-11)6-18-8(2)4-9(5-12(18)19)13(14,15)16/h4-5,7H,3,6H2,1-2H3
InChIKeyOZACZCKMGLEAIW-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.24
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]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (CID 72900662) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is CCc1nc(Cn2c(C)cc(C(F)(F)F)cc2=O)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is OZACZCKMGLEAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-3-11-17-10(7-20-11)6-18-8(2)4-9(5-12(18)19)13(14,15)16/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 302.32 g/mol, XLogP of 3.24, 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]-6-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72900662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).