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

C9H10N4OS — CID 130566930

IUPAC1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2csc(C)n2)nn1
InChIInChI=1S/C9H10N4OS/c1-6(14)9-4-13(12-11-9)3-8-5-15-7(2)10-8/h4-5H,3H2,1-2H3
InChIKeyDYZMZDRRLQGPIV-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.29
Rot. Bonds3

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

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone (PubChem CID 130566930) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
PubChem CID130566930
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2csc(C)n2)nn1
InChIInChI=1S/C9H10N4OS/c1-6(14)9-4-13(12-11-9)3-8-5-15-7(2)10-8/h4-5H,3H2,1-2H3
InChIKeyDYZMZDRRLQGPIV-UHFFFAOYSA-N
XLogP1.29
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
CID 55092155
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
2-methyl-4-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]-1,3-thiazole
CID 166248045
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62060397
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
1-[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]ethanone
CID 130566972
1-[1-[(5-chlorothiophen-3-yl)methyl]triazol-4-yl]ethanone
CID 130877799
2-methyl-4-[[4-(3-methyl-1-prop-2-enylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole
CID 72854369
1-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanone
CID 130604279
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone (CID 130566930) is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone is CC(=O)c1cn(Cc2csc(C)n2)nn1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone?
The InChIKey is DYZMZDRRLQGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6(14)9-4-13(12-11-9)3-8-5-15-7(2)10-8/h4-5H,3H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone?
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone has a molecular weight of 222.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone is sourced from PubChem (CID 130566930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).