3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one

C19H21N3OS — CID 3862622

IUPAC3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(N3CCCC3)cc2)N1Cc1ccccn1
InChIInChI=1S/C19H21N3OS/c23-18-14-24-19(22(18)13-16-5-1-2-10-20-16)15-6-8-17(9-7-15)21-11-3-4-12-21/h1-2,5-10,19H,3-4,11-14H2
InChIKeyGWGVMGGZQQZXBK-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.46
Rot. Bonds4

About 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one

3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3862622) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
PubChem CID3862622
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(N3CCCC3)cc2)N1Cc1ccccn1
InChIInChI=1S/C19H21N3OS/c23-18-14-24-19(22(18)13-16-5-1-2-10-20-16)15-6-8-17(9-7-15)21-11-3-4-12-21/h1-2,5-10,19H,3-4,11-14H2
InChIKeyGWGVMGGZQQZXBK-UHFFFAOYSA-N
XLogP3.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.46
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-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one (CID 3862622) is 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(N3CCCC3)cc2)N1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is GWGVMGGZQQZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-18-14-24-19(22(18)13-16-5-1-2-10-20-16)15-6-8-17(9-7-15)21-11-3-4-12-21/h1-2,5-10,19H,3-4,11-14H2.
What are the key properties of 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 339.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3862622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).