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

C11H7ClF3N3O2S — CID 18121615

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1nccs1
InChIInChI=1S/C11H7ClF3N3O2S/c12-7-3-6(11(13,14)15)4-18(9(7)20)5-8(19)17-10-16-1-2-21-10/h1-4H,5H2,(H,16,17,19)
InChIKeyYQQQOYDWCYRYAB-UHFFFAOYSA-N
MW337.71 g/mol
LogP2.62
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 18121615) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID18121615
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1nccs1
InChIInChI=1S/C11H7ClF3N3O2S/c12-7-3-6(11(13,14)15)4-18(9(7)20)5-8(19)17-10-16-1-2-21-10/h1-4H,5H2,(H,16,17,19)
InChIKeyYQQQOYDWCYRYAB-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (CID 18121615) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1nccs1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YQQQOYDWCYRYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c12-7-3-6(11(13,14)15)4-18(9(7)20)5-8(19)17-10-16-1-2-21-10/h1-4H,5H2,(H,16,17,19).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 337.71 g/mol, XLogP of 2.62, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18121615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).