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

C14H14F3N3O2S — CID 56880039

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1csc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C14H14F3N3O2S/c1-2-10-8-23-12(19-10)5-18-11(21)7-20-6-9(14(15,16)17)3-4-13(20)22/h3-4,6,8H,2,5,7H2,1H3,(H,18,21)
InChIKeyHBPOKETWFYEZMG-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.20
Rot. Bonds5

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 56880039) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID56880039
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1csc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C14H14F3N3O2S/c1-2-10-8-23-12(19-10)5-18-11(21)7-20-6-9(14(15,16)17)3-4-13(20)22/h3-4,6,8H,2,5,7H2,1H3,(H,18,21)
InChIKeyHBPOKETWFYEZMG-UHFFFAOYSA-N
XLogP2.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]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 N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 56880039) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCc1csc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HBPOKETWFYEZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-2-10-8-23-12(19-10)5-18-11(21)7-20-6-9(14(15,16)17)3-4-13(20)22/h3-4,6,8H,2,5,7H2,1H3,(H,18,21).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 56880039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).