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

C19H14N4OS — CID 135407456

IUPAC(5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccn2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H14N4OS/c24-18-17(11-13-6-7-16-14(10-13)4-3-9-21-16)25-19(23-18)22-12-15-5-1-2-8-20-15/h1-11H,12H2,(H,22,23,24)/b17-11-
InChIKeyVUMVELURNGOAFL-BOPFTXTBSA-N
MW346.42 g/mol
LogP3.39
Rot. Bonds3

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

(5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135407456) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135407456
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name(5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccccn2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H14N4OS/c24-18-17(11-13-6-7-16-14(10-13)4-3-9-21-16)25-19(23-18)22-12-15-5-1-2-8-20-15/h1-11H,12H2,(H,22,23,24)/b17-11-
InChIKeyVUMVELURNGOAFL-BOPFTXTBSA-N
XLogP3.39
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135407456) is (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccccn2)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VUMVELURNGOAFL-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18-17(11-13-6-7-16-14(10-13)4-3-9-21-16)25-19(23-18)22-12-15-5-1-2-8-20-15/h1-11H,12H2,(H,22,23,24)/b17-11-.
What are the key properties of (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 346.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(pyridin-2-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135407456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).