[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone

C17H15Cl2N3OS — CID 55335389

IUPAC[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone
SMILESCCC1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1C(=O)c1ccccn1
InChIInChI=1S/C17H15Cl2N3OS/c1-2-12-10-24-17(21-11-6-7-13(18)14(19)9-11)22(12)16(23)15-5-3-4-8-20-15/h3-9,12H,2,10H2,1H3/b21-17-
InChIKeySCNHZOPVYUHNIH-FXBPSFAMSA-N
MW380.30 g/mol
LogP5.04
Rot. Bonds3

About [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone

[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 55335389) has the molecular formula C17H15Cl2N3OS and a molecular weight of 380.30 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone
PubChem CID55335389
Molecular FormulaC17H15Cl2N3OS
Molecular Weight380.30 g/mol
Exact Mass379.03
IUPAC Name[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone
SMILESCCC1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1C(=O)c1ccccn1
InChIInChI=1S/C17H15Cl2N3OS/c1-2-12-10-24-17(21-11-6-7-13(18)14(19)9-11)22(12)16(23)15-5-3-4-8-20-15/h3-9,12H,2,10H2,1H3/b21-17-
InChIKeySCNHZOPVYUHNIH-FXBPSFAMSA-N
XLogP5.04
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 55.04
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-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone (CID 55335389) is [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone is CCC1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1C(=O)c1ccccn1.
What is the InChIKey of [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is SCNHZOPVYUHNIH-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS/c1-2-12-10-24-17(21-11-6-7-13(18)14(19)9-11)22(12)16(23)15-5-3-4-8-20-15/h3-9,12H,2,10H2,1H3/b21-17-.
What are the key properties of [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone?
[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 380.30 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 55335389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).