2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C13H12F3N3O3S — CID 86990066

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H12F3N3O3S/c1-8-6-23-12(21)19(8)5-10(20)18-9-2-3-11(17-4-9)22-7-13(14,15)16/h2-4,6H,5,7H2,1H3,(H,18,20)
InChIKeyGHQVRTFGKBYGRR-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 86990066) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID86990066
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H12F3N3O3S/c1-8-6-23-12(21)19(8)5-10(20)18-9-2-3-11(17-4-9)22-7-13(14,15)16/h2-4,6H,5,7H2,1H3,(H,18,20)
InChIKeyGHQVRTFGKBYGRR-UHFFFAOYSA-N
XLogP2.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 9192131
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712251
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712280
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 46467139
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86920042
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 63139677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 86990066) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is Cc1csc(=O)n1CC(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is GHQVRTFGKBYGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c1-8-6-23-12(21)19(8)5-10(20)18-9-2-3-11(17-4-9)22-7-13(14,15)16/h2-4,6H,5,7H2,1H3,(H,18,20).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 347.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 86990066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).