2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H9ClF3N3O2S — CID 24555165

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C12H9ClF3N3O2S/c1-6-3-17-11(22-6)18-9(20)5-19-4-7(12(14,15)16)2-8(13)10(19)21/h2-4H,5H2,1H3,(H,17,18,20)
InChIKeyWAECWJIHPOCTFY-UHFFFAOYSA-N
MW351.74 g/mol
LogP2.92
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 24555165) has the molecular formula C12H9ClF3N3O2S and a molecular weight of 351.74 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID24555165
Molecular FormulaC12H9ClF3N3O2S
Molecular Weight351.74 g/mol
Exact Mass351.01
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C12H9ClF3N3O2S/c1-6-3-17-11(22-6)18-9(20)5-19-4-7(12(14,15)16)2-8(13)10(19)21/h2-4H,5H2,1H3,(H,17,18,20)
InChIKeyWAECWJIHPOCTFY-UHFFFAOYSA-N
XLogP2.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3E,4E)-4-ethylidene-3-prop-2-enylidene-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;N-methyl-2-piperazin-1-ylacetamide
CID 178768471
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 18121615
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 24555521
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 25947166
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25948124
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31939975
Methyl 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 32182054
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79760514
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775313
5-Chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139390339
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 9504516
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24645365

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 24555165) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WAECWJIHPOCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2S/c1-6-3-17-11(22-6)18-9(20)5-19-4-7(12(14,15)16)2-8(13)10(19)21/h2-4H,5H2,1H3,(H,17,18,20).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 351.74 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24555165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).