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

C15H11Cl2N3OS — CID 2731367

IUPAC2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1cccnc1
InChIInChI=1S/C15H11Cl2N3OS/c16-11-4-1-5-12(14(11)17)19-15-20(13(21)9-22-15)8-10-3-2-6-18-7-10/h1-7H,8-9H2/b19-15-
InChIKeyLAQVRMYBKDEGQT-CYVLTUHYSA-N
MW352.25 g/mol
LogP4.15
Rot. Bonds3

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

2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2731367) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2731367
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1cccnc1
InChIInChI=1S/C15H11Cl2N3OS/c16-11-4-1-5-12(14(11)17)19-15-20(13(21)9-22-15)8-10-3-2-6-18-7-10/h1-7H,8-9H2/b19-15-
InChIKeyLAQVRMYBKDEGQT-CYVLTUHYSA-N
XLogP4.15
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.15
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-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 2731367) is 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1cccnc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is LAQVRMYBKDEGQT-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-11-4-1-5-12(14(11)17)19-15-20(13(21)9-22-15)8-10-3-2-6-18-7-10/h1-7H,8-9H2/b19-15-.
What are the key properties of 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 352.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)imino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2731367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).