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

C14H10Cl2N2O2S — CID 2826689

IUPAC2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1ccco1
InChIInChI=1S/C14H10Cl2N2O2S/c15-10-4-1-5-11(13(10)16)17-14-18(12(19)8-21-14)7-9-3-2-6-20-9/h1-6H,7-8H2/b17-14-
InChIKeyNAQDVYWYWDAQCM-VKAVYKQESA-N
MW341.22 g/mol
LogP4.35
Rot. Bonds3

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

2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2826689) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2826689
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1ccco1
InChIInChI=1S/C14H10Cl2N2O2S/c15-10-4-1-5-11(13(10)16)17-14-18(12(19)8-21-14)7-9-3-2-6-20-9/h1-6H,7-8H2/b17-14-
InChIKeyNAQDVYWYWDAQCM-VKAVYKQESA-N
XLogP4.35
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.35
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-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 2826689) is 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1ccco1.
What is the InChIKey of 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is NAQDVYWYWDAQCM-VKAVYKQESA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-10-4-1-5-11(13(10)16)17-14-18(12(19)8-21-14)7-9-3-2-6-20-9/h1-6H,7-8H2/b17-14-.
What are the key properties of 2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 341.22 g/mol, XLogP of 4.35, 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-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2826689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).