1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C14H9F3N2OS2 — CID 17467627

IUPAC1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)9-3-4-12(20)19(6-9)7-10-8-22-13(18-10)11-2-1-5-21-11/h1-6,8H,7H2
InChIKeyGGLUAUYYVGUUTQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.10
Rot. Bonds3

About 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 17467627) has the molecular formula C14H9F3N2OS2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID17467627
Molecular FormulaC14H9F3N2OS2
Molecular Weight342.37 g/mol
Exact Mass342.01
IUPAC Name1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)9-3-4-12(20)19(6-9)7-10-8-22-13(18-10)11-2-1-5-21-11/h1-6,8H,7H2
InChIKeyGGLUAUYYVGUUTQ-UHFFFAOYSA-N
XLogP4.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 17467627) is 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2cccs2)n1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is GGLUAUYYVGUUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS2/c15-14(16,17)9-3-4-12(20)19(6-9)7-10-8-22-13(18-10)11-2-1-5-21-11/h1-6,8H,7H2.
What are the key properties of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 342.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 17467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).