1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone

C14H12N4OS — CID 82221169

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone
SMILESCC(=O)c1nnn(-c2nc(C)cs2)c1-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-9-8-20-14(15-9)18-13(11-6-4-3-5-7-11)12(10(2)19)16-17-18/h3-8H,1-2H3
InChIKeyFZOKIYIROURBDT-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone

1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone (PubChem CID 82221169) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone
PubChem CID82221169
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone
SMILESCC(=O)c1nnn(-c2nc(C)cs2)c1-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-9-8-20-14(15-9)18-13(11-6-4-3-5-7-11)12(10(2)19)16-17-18/h3-8H,1-2H3
InChIKeyFZOKIYIROURBDT-UHFFFAOYSA-N
XLogP2.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
CID 94939684
2-(4-acetyl-5-phenyltriazol-1-yl)acetic acid
CID 82202879
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazol-4-yl]ethanone
CID 539723
[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221146
5-[(4-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 94962616
1-(5-phenyl-1-prop-2-enyltriazol-4-yl)ethanone
CID 82204785
1-[1-(2-methylpropyl)-5-phenyltriazol-4-yl]ethanone
CID 82208841
5-(3,4-dimethylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82221086
1-[1-(3-methylsulfanylphenyl)-5-phenyltriazol-4-yl]ethanone
CID 94940193
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
1-(2,5-dimethylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 82201268
1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
CID 82221125

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone (CID 82221169) is 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone is CC(=O)c1nnn(-c2nc(C)cs2)c1-c1ccccc1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone?
The InChIKey is FZOKIYIROURBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-8-20-14(15-9)18-13(11-6-4-3-5-7-11)12(10(2)19)16-17-18/h3-8H,1-2H3.
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone?
1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone has a molecular weight of 284.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone is sourced from PubChem (CID 82221169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).