[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone

C20H20N4O3S — CID 122330259

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O3S/c1-26-15-8-9-18(27-2)16(12-15)20-23(10-11-28-20)19(25)17-13-21-24(22-17)14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyJYGYVKYUSKZNAE-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.17
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 122330259) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID122330259
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O3S/c1-26-15-8-9-18(27-2)16(12-15)20-23(10-11-28-20)19(25)17-13-21-24(22-17)14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyJYGYVKYUSKZNAE-UHFFFAOYSA-N
XLogP3.17
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone (CID 122330259) is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone is COc1ccc(OC)c(C2SCCN2C(=O)c2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is JYGYVKYUSKZNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-26-15-8-9-18(27-2)16(12-15)20-23(10-11-28-20)19(25)17-13-21-24(22-17)14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 122330259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).