2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C13H11ClF3N3O2S — CID 24555521

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc1C
InChIInChI=1S/C13H11ClF3N3O2S/c1-6-7(2)23-12(18-6)19-10(21)5-20-4-8(13(15,16)17)3-9(14)11(20)22/h3-4H,5H2,1-2H3,(H,18,19,21)
InChIKeyQJDFSIOVECDXLY-UHFFFAOYSA-N
MW365.76 g/mol
LogP3.23
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 24555521) has the molecular formula C13H11ClF3N3O2S and a molecular weight of 365.76 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID24555521
Molecular FormulaC13H11ClF3N3O2S
Molecular Weight365.76 g/mol
Exact Mass365.02
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc1C
InChIInChI=1S/C13H11ClF3N3O2S/c1-6-7(2)23-12(18-6)19-10(21)5-20-4-8(13(15,16)17)3-9(14)11(20)22/h3-4H,5H2,1-2H3,(H,18,19,21)
InChIKeyQJDFSIOVECDXLY-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 24555521) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc1C.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QJDFSIOVECDXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2S/c1-6-7(2)23-12(18-6)19-10(21)5-20-4-8(13(15,16)17)3-9(14)11(20)22/h3-4H,5H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 365.76 g/mol, XLogP of 3.23, 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-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24555521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).