3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride

C16H15ClN2OS — CID 141064791

IUPAC3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H14N2OS.ClH/c19-15-12-20-16(17-14-9-5-2-6-10-14)18(15)11-13-7-3-1-4-8-13;/h1-10H,11-12H2;1H/b17-16-;
InChIKeyMHTRWCUFVPBJHZ-XYJRJTJESA-N
MW318.83 g/mol
LogP3.87
Rot. Bonds3

About 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride

3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 141064791) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
PubChem CID141064791
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H14N2OS.ClH/c19-15-12-20-16(17-14-9-5-2-6-10-14)18(15)11-13-7-3-1-4-8-13;/h1-10H,11-12H2;1H/b17-16-;
InChIKeyMHTRWCUFVPBJHZ-XYJRJTJESA-N
XLogP3.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride (CID 141064791) is 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride is Cl.O=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is MHTRWCUFVPBJHZ-XYJRJTJESA-N. The full InChI is InChI=1S/C16H14N2OS.ClH/c19-15-12-20-16(17-14-9-5-2-6-10-14)18(15)11-13-7-3-1-4-8-13;/h1-10H,11-12H2;1H/b17-16-;.
What are the key properties of 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride?
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 141064791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).