(5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C20H15N3OS — CID 135495115

IUPAC(5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H15N3OS/c24-19-18(12-15-8-9-17-16(11-15)7-4-10-21-17)25-20(23-19)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)/b18-12-
InChIKeyAIMKWBLBSPOZKY-PDGQHHTCSA-N
MW345.43 g/mol
LogP3.99
Rot. Bonds3

About (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135495115) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135495115
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H15N3OS/c24-19-18(12-15-8-9-17-16(11-15)7-4-10-21-17)25-20(23-19)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)/b18-12-
InChIKeyAIMKWBLBSPOZKY-PDGQHHTCSA-N
XLogP3.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135495115) is (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccccc2)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is AIMKWBLBSPOZKY-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-19-18(12-15-8-9-17-16(11-15)7-4-10-21-17)25-20(23-19)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)/b18-12-.
What are the key properties of (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 345.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135495115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).