2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide

C26H25N3O2S2 — CID 71593964

IUPAC2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccccc1C1SCC(=O)N1C(=O)NCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H25N3O2S2/c1-18-9-2-3-10-19(18)25-29(24(30)17-32-25)26(31)27-15-8-16-28-20-11-4-6-13-22(20)33-23-14-7-5-12-21(23)28/h2-7,9-14,25H,8,15-17H2,1H3,(H,27,31)
InChIKeySRZYWJCPUMUCJV-UHFFFAOYSA-N
MW475.64 g/mol
LogP5.97
Rot. Bonds5

About 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide

2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 71593964) has the molecular formula C26H25N3O2S2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide
PubChem CID71593964
Molecular FormulaC26H25N3O2S2
Molecular Weight475.64 g/mol
Exact Mass475.14
IUPAC Name2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccccc1C1SCC(=O)N1C(=O)NCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H25N3O2S2/c1-18-9-2-3-10-19(18)25-29(24(30)17-32-25)26(31)27-15-8-16-28-20-11-4-6-13-22(20)33-23-14-7-5-12-21(23)28/h2-7,9-14,25H,8,15-17H2,1H3,(H,27,31)
InChIKeySRZYWJCPUMUCJV-UHFFFAOYSA-N
XLogP5.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide (CID 71593964) is 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide is Cc1ccccc1C1SCC(=O)N1C(=O)NCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is SRZYWJCPUMUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S2/c1-18-9-2-3-10-19(18)25-29(24(30)17-32-25)26(31)27-15-8-16-28-20-11-4-6-13-22(20)33-23-14-7-5-12-21(23)28/h2-7,9-14,25H,8,15-17H2,1H3,(H,27,31).
What are the key properties of 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide?
2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 71593964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).