(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C19H11ClFN3OS — CID 135457445

IUPAC(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cc(F)ccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H11ClFN3OS/c20-14-5-4-13(21)10-16(14)23-19-24-18(25)17(26-19)9-11-3-6-15-12(8-11)2-1-7-22-15/h1-10H,(H,23,24,25)/b17-9-
InChIKeyGWOKZFNBGFQXEJ-MFOYZWKCSA-N
MW383.84 g/mol
LogP4.92
Rot. Bonds2

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

(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135457445) has the molecular formula C19H11ClFN3OS and a molecular weight of 383.84 g/mol. Its IUPAC name is (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135457445
Molecular FormulaC19H11ClFN3OS
Molecular Weight383.84 g/mol
Exact Mass383.03
IUPAC Name(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cc(F)ccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H11ClFN3OS/c20-14-5-4-13(21)10-16(14)23-19-24-18(25)17(26-19)9-11-3-6-15-12(8-11)2-1-7-22-15/h1-10H,(H,23,24,25)/b17-9-
InChIKeyGWOKZFNBGFQXEJ-MFOYZWKCSA-N
XLogP4.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.92
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-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135457445) is (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cc(F)ccc2Cl)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GWOKZFNBGFQXEJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H11ClFN3OS/c20-14-5-4-13(21)10-16(14)23-19-24-18(25)17(26-19)9-11-3-6-15-12(8-11)2-1-7-22-15/h1-10H,(H,23,24,25)/b17-9-.
What are the key properties of (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 383.84 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chloro-5-fluorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135457445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).