5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one

C10H8Cl2N2OS — CID 137319923

IUPAC5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2cc(Cl)ccc2Cl)S1
InChIInChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
InChIKeyDDKQMPMXVYYPTD-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.70
Rot. Bonds2

About 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one

5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one (PubChem CID 137319923) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
PubChem CID137319923
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2cc(Cl)ccc2Cl)S1
InChIInChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
InChIKeyDDKQMPMXVYYPTD-UHFFFAOYSA-N
XLogP2.70
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one (CID 137319923) is 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(Cc2cc(Cl)ccc2Cl)S1.
What is the InChIKey of 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is DDKQMPMXVYYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15).
What are the key properties of 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 275.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137319923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).