3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one

C21H24N2O2S — CID 4679016

IUPAC3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CN1C(=O)CSC1c1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-25-19-7-3-2-6-17(19)14-23-20(24)15-26-21(23)16-8-10-18(11-9-16)22-12-4-5-13-22/h2-3,6-11,21H,4-5,12-15H2,1H3
InChIKeyQTTNQOLSZKCRQN-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.07
Rot. Bonds5

About 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one

3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4679016) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
PubChem CID4679016
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CN1C(=O)CSC1c1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-25-19-7-3-2-6-17(19)14-23-20(24)15-26-21(23)16-8-10-18(11-9-16)22-12-4-5-13-22/h2-3,6-11,21H,4-5,12-15H2,1H3
InChIKeyQTTNQOLSZKCRQN-UHFFFAOYSA-N
XLogP4.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one (CID 4679016) is 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one is COc1ccccc1CN1C(=O)CSC1c1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is QTTNQOLSZKCRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-25-19-7-3-2-6-17(19)14-23-20(24)15-26-21(23)16-8-10-18(11-9-16)22-12-4-5-13-22/h2-3,6-11,21H,4-5,12-15H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 368.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4679016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).