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

C19H12ClN3OS — CID 135500040

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H12ClN3OS/c20-14-5-1-2-6-16(14)22-19-23-18(24)17(25-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b17-11-
InChIKeyFITCFFSJDIRDTL-BOPFTXTBSA-N
MW365.85 g/mol
LogP4.78
Rot. Bonds2

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

(5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135500040) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135500040
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C19H12ClN3OS/c20-14-5-1-2-6-16(14)22-19-23-18(24)17(25-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b17-11-
InChIKeyFITCFFSJDIRDTL-BOPFTXTBSA-N
XLogP4.78
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.78
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-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135500040) is (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is FITCFFSJDIRDTL-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-14-5-1-2-6-16(14)22-19-23-18(24)17(25-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b17-11-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 365.85 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135500040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).