2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide

C16H18N4OS — CID 110354295

IUPAC2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESCC(Cc1ccccc1)C(=O)NCCc1csc2ncnn12
InChIInChI=1S/C16H18N4OS/c1-12(9-13-5-3-2-4-6-13)15(21)17-8-7-14-10-22-16-18-11-19-20(14)16/h2-6,10-12H,7-9H2,1H3,(H,17,21)
InChIKeyFMWIYMMLKYQIMZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.33
Rot. Bonds6

About 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide

2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (PubChem CID 110354295) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
PubChem CID110354295
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESCC(Cc1ccccc1)C(=O)NCCc1csc2ncnn12
InChIInChI=1S/C16H18N4OS/c1-12(9-13-5-3-2-4-6-13)15(21)17-8-7-14-10-22-16-18-11-19-20(14)16/h2-6,10-12H,7-9H2,1H3,(H,17,21)
InChIKeyFMWIYMMLKYQIMZ-UHFFFAOYSA-N
XLogP2.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (CID 110354295) is 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is CC(Cc1ccccc1)C(=O)NCCc1csc2ncnn12.
What is the InChIKey of 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The InChIKey is FMWIYMMLKYQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-12(9-13-5-3-2-4-6-13)15(21)17-8-7-14-10-22-16-18-11-19-20(14)16/h2-6,10-12H,7-9H2,1H3,(H,17,21).
What are the key properties of 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110354295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).