5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one

C16H13ClN2OS — CID 135414163

IUPAC5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)SC1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19-16(21-14)18-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19,20)
InChIKeyLWGWTZFHTPUPIQ-UHFFFAOYSA-N
MW316.81 g/mol
LogP3.80
Rot. Bonds3

About 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one

5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135414163) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135414163
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)SC1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19-16(21-14)18-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19,20)
InChIKeyLWGWTZFHTPUPIQ-UHFFFAOYSA-N
XLogP3.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
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-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one (CID 135414163) is 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)SC1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is LWGWTZFHTPUPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19-16(21-14)18-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 316.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).