1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone

C15H18N4O3S — CID 122330320

IUPAC1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)Cn2cncn2)c1
InChIInChI=1S/C15H18N4O3S/c1-21-11-3-4-13(22-2)12(7-11)15-19(5-6-23-15)14(20)8-18-10-16-9-17-18/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyQOYUHVZAGWHPON-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 122330320) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID122330320
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)Cn2cncn2)c1
InChIInChI=1S/C15H18N4O3S/c1-21-11-3-4-13(22-2)12(7-11)15-19(5-6-23-15)14(20)8-18-10-16-9-17-18/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyQOYUHVZAGWHPON-UHFFFAOYSA-N
XLogP1.57
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 122330320) is 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone is COc1ccc(OC)c(C2SCCN2C(=O)Cn2cncn2)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is QOYUHVZAGWHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-21-11-3-4-13(22-2)12(7-11)15-19(5-6-23-15)14(20)8-18-10-16-9-17-18/h3-4,7,9-10,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 334.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 122330320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).