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

C16H14Cl2N4OS — CID 18228852

IUPAC[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
SMILESCCC1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1C(=O)c1cnccn1
InChIInChI=1S/C16H14Cl2N4OS/c1-2-11-9-24-16(21-10-3-4-12(17)13(18)7-10)22(11)15(23)14-8-19-5-6-20-14/h3-8,11H,2,9H2,1H3/b21-16-
InChIKeyHZBCENUKOLQNON-PGMHBOJBSA-N
MW381.29 g/mol
LogP4.44
Rot. Bonds3

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

[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone (PubChem CID 18228852) has the molecular formula C16H14Cl2N4OS and a molecular weight of 381.29 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
PubChem CID18228852
Molecular FormulaC16H14Cl2N4OS
Molecular Weight381.29 g/mol
Exact Mass380.03
IUPAC Name[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
SMILESCCC1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1C(=O)c1cnccn1
InChIInChI=1S/C16H14Cl2N4OS/c1-2-11-9-24-16(21-10-3-4-12(17)13(18)7-10)22(11)15(23)14-8-19-5-6-20-14/h3-8,11H,2,9H2,1H3/b21-16-
InChIKeyHZBCENUKOLQNON-PGMHBOJBSA-N
XLogP4.44
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone (CID 18228852) is [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone is CCC1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1C(=O)c1cnccn1.
What is the InChIKey of [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone?
The InChIKey is HZBCENUKOLQNON-PGMHBOJBSA-N. The full InChI is InChI=1S/C16H14Cl2N4OS/c1-2-11-9-24-16(21-10-3-4-12(17)13(18)7-10)22(11)15(23)14-8-19-5-6-20-14/h3-8,11H,2,9H2,1H3/b21-16-.
What are the key properties of [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone?
[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone has a molecular weight of 381.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 18228852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).