N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide

C16H11N3O2S2 — CID 135399084

IUPACN-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
SMILESO=C1CSC(=NC(=O)N2c3ccccc3Sc3ccccc32)N1
InChIInChI=1S/C16H11N3O2S2/c20-14-9-22-15(17-14)18-16(21)19-10-5-1-3-7-12(10)23-13-8-4-2-6-11(13)19/h1-8H,9H2,(H,17,18,20,21)
InChIKeyBFBNDVZJZQCLFD-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.63
Rot. Bonds

About N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide

N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide (PubChem CID 135399084) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
PubChem CID135399084
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC NameN-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
SMILESO=C1CSC(=NC(=O)N2c3ccccc3Sc3ccccc32)N1
InChIInChI=1S/C16H11N3O2S2/c20-14-9-22-15(17-14)18-16(21)19-10-5-1-3-7-12(10)23-13-8-4-2-6-11(13)19/h1-8H,9H2,(H,17,18,20,21)
InChIKeyBFBNDVZJZQCLFD-UHFFFAOYSA-N
XLogP3.63
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide (CID 135399084) is N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide is O=C1CSC(=NC(=O)N2c3ccccc3Sc3ccccc32)N1.
What is the InChIKey of N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide?
The InChIKey is BFBNDVZJZQCLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c20-14-9-22-15(17-14)18-16(21)19-10-5-1-3-7-12(10)23-13-8-4-2-6-11(13)19/h1-8H,9H2,(H,17,18,20,21).
What are the key properties of N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide?
N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide is sourced from PubChem (CID 135399084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).