2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

C15H19N3OS — CID 42625457

IUPAC2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1CCN1CCCC1
InChIInChI=1S/C15H19N3OS/c19-14-12-20-15(16-13-6-2-1-3-7-13)18(14)11-10-17-8-4-5-9-17/h1-3,6-7H,4-5,8-12H2/b16-15-
InChIKeyCEXJUYJWNBJPFW-NXVVXOECSA-N
MW289.40 g/mol
LogP2.35
Rot. Bonds4

About 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 42625457) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID42625457
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1CCN1CCCC1
InChIInChI=1S/C15H19N3OS/c19-14-12-20-15(16-13-6-2-1-3-7-13)18(14)11-10-17-8-4-5-9-17/h1-3,6-7H,4-5,8-12H2/b16-15-
InChIKeyCEXJUYJWNBJPFW-NXVVXOECSA-N
XLogP2.35
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 42625457) is 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1CCN1CCCC1.
What is the InChIKey of 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is CEXJUYJWNBJPFW-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-14-12-20-15(16-13-6-2-1-3-7-13)18(14)11-10-17-8-4-5-9-17/h1-3,6-7H,4-5,8-12H2/b16-15-.
What are the key properties of 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 289.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42625457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).