2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C14H12F3N5O2S — CID 18126363

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H12F3N5O2S/c1-8-7-25-13(24)21(8)6-12(23)18-4-11-20-19-10-3-2-9(5-22(10)11)14(15,16)17/h2-3,5,7H,4,6H2,1H3,(H,18,23)
InChIKeyMKRHEDFOXVDIOZ-UHFFFAOYSA-N
MW371.34 g/mol
LogP1.60
Rot. Bonds4

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 18126363) has the molecular formula C14H12F3N5O2S and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID18126363
Molecular FormulaC14H12F3N5O2S
Molecular Weight371.34 g/mol
Exact Mass371.07
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H12F3N5O2S/c1-8-7-25-13(24)21(8)6-12(23)18-4-11-20-19-10-3-2-9(5-22(10)11)14(15,16)17/h2-3,5,7H,4,6H2,1H3,(H,18,23)
InChIKeyMKRHEDFOXVDIOZ-UHFFFAOYSA-N
XLogP1.60
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 18126363) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is Cc1csc(=O)n1CC(=O)NCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is MKRHEDFOXVDIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2S/c1-8-7-25-13(24)21(8)6-12(23)18-4-11-20-19-10-3-2-9(5-22(10)11)14(15,16)17/h2-3,5,7H,4,6H2,1H3,(H,18,23).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 371.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 18126363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).