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

C14H9F3N2OS2 — CID 35464889

IUPAC1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)10-1-2-12(20)19(5-10)6-11-8-22-13(18-11)9-3-4-21-7-9/h1-5,7-8H,6H2
InChIKeyIWUGBWLWRDRVEL-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.10
Rot. Bonds3

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

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 35464889) has the molecular formula C14H9F3N2OS2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID35464889
Molecular FormulaC14H9F3N2OS2
Molecular Weight342.37 g/mol
Exact Mass342.01
IUPAC Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)10-1-2-12(20)19(5-10)6-11-8-22-13(18-11)9-3-4-21-7-9/h1-5,7-8H,6H2
InChIKeyIWUGBWLWRDRVEL-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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Related Compounds

1-[(2-Thiophen-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 17467627
1-[(2-Thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30657075
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 49071081
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
2-(2-Thiophen-3-yl-1,3-thiazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 55685430
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
5-Fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 99831371
N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103857308
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 107482801

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 35464889) is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is IWUGBWLWRDRVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS2/c15-14(16,17)10-1-2-12(20)19(5-10)6-11-8-22-13(18-11)9-3-4-21-7-9/h1-5,7-8H,6H2.
What are the key properties of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2-thiophen-3-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-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 35464889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).