1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone

C14H16N4OS — CID 122330492

IUPAC1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1ccc(C2SCCN2C(=O)Cn2cncn2)cc1
InChIInChI=1S/C14H16N4OS/c1-11-2-4-12(5-3-11)14-18(6-7-20-14)13(19)8-17-10-15-9-16-17/h2-5,9-10,14H,6-8H2,1H3
InChIKeyGPQJSZIEFHXHGO-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 122330492) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID122330492
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1ccc(C2SCCN2C(=O)Cn2cncn2)cc1
InChIInChI=1S/C14H16N4OS/c1-11-2-4-12(5-3-11)14-18(6-7-20-14)13(19)8-17-10-15-9-16-17/h2-5,9-10,14H,6-8H2,1H3
InChIKeyGPQJSZIEFHXHGO-UHFFFAOYSA-N
XLogP1.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 122330492) is 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone is Cc1ccc(C2SCCN2C(=O)Cn2cncn2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is GPQJSZIEFHXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11-2-4-12(5-3-11)14-18(6-7-20-14)13(19)8-17-10-15-9-16-17/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 288.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 122330492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).