3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one

C19H15N3OS2 — CID 15944770

IUPAC3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H15N3OS2/c20-18-22(17(23)16(25-18)14-9-5-2-6-10-14)19-21-12-15(24-19)11-13-7-3-1-4-8-13/h1-10,12,16,20H,11H2/b20-18-
InChIKeyAVMXXESPIRVLPS-ZZEZOPTASA-N
MW365.48 g/mol
LogP4.49
Rot. Bonds4

About 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one

3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 15944770) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one
PubChem CID15944770
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H15N3OS2/c20-18-22(17(23)16(25-18)14-9-5-2-6-10-14)19-21-12-15(24-19)11-13-7-3-1-4-8-13/h1-10,12,16,20H,11H2/b20-18-
InChIKeyAVMXXESPIRVLPS-ZZEZOPTASA-N
XLogP4.49
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one (CID 15944770) is 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one is [H]/N=C1\SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2)s1.
What is the InChIKey of 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is AVMXXESPIRVLPS-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H15N3OS2/c20-18-22(17(23)16(25-18)14-9-5-2-6-10-14)19-21-12-15(24-19)11-13-7-3-1-4-8-13/h1-10,12,16,20H,11H2/b20-18-.
What are the key properties of 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one?
3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 365.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1,3-thiazol-2-yl)-2-imino-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15944770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).