2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

C15H12ClN3OS — CID 2731366

IUPAC2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1Cc1cccnc1
InChIInChI=1S/C15H12ClN3OS/c16-12-3-5-13(6-4-12)18-15-19(14(20)10-21-15)9-11-2-1-7-17-8-11/h1-8H,9-10H2/b18-15-
InChIKeyULANVUCKABVYJP-SDXDJHTJSA-N
MW317.80 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2731366) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2731366
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1Cc1cccnc1
InChIInChI=1S/C15H12ClN3OS/c16-12-3-5-13(6-4-12)18-15-19(14(20)10-21-15)9-11-2-1-7-17-8-11/h1-8H,9-10H2/b18-15-
InChIKeyULANVUCKABVYJP-SDXDJHTJSA-N
XLogP3.50
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.50
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-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 2731366) is 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(Cl)cc2)N1Cc1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is ULANVUCKABVYJP-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-12-3-5-13(6-4-12)18-15-19(14(20)10-21-15)9-11-2-1-7-17-8-11/h1-8H,9-10H2/b18-15-.
What are the key properties of 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 317.80 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2731366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).