2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one

C22H24N2O3S — CID 87150757

IUPAC2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SC(C)C(=O)N1Cc1ccc2ccn(C)c2c1
InChIInChI=1S/C22H24N2O3S/c1-14-21(25)24(13-15-8-9-16-10-11-23(2)17(16)12-15)22(28-14)20-18(26-3)6-5-7-19(20)27-4/h5-12,14,22H,13H2,1-4H3
InChIKeySACDFDCJDXMNMN-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.36
Rot. Bonds5

About 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one

2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 87150757) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID87150757
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SC(C)C(=O)N1Cc1ccc2ccn(C)c2c1
InChIInChI=1S/C22H24N2O3S/c1-14-21(25)24(13-15-8-9-16-10-11-23(2)17(16)12-15)22(28-14)20-18(26-3)6-5-7-19(20)27-4/h5-12,14,22H,13H2,1-4H3
InChIKeySACDFDCJDXMNMN-UHFFFAOYSA-N
XLogP4.36
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one (CID 87150757) is 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one is COc1cccc(OC)c1C1SC(C)C(=O)N1Cc1ccc2ccn(C)c2c1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is SACDFDCJDXMNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-21(25)24(13-15-8-9-16-10-11-23(2)17(16)12-15)22(28-14)20-18(26-3)6-5-7-19(20)27-4/h5-12,14,22H,13H2,1-4H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one?
2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 396.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 87150757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).