N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide

C23H18ClN3O2S2 — CID 10528264

IUPACN-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
SMILESO=C(CN1c2ccccc2Sc2ccccc21)NN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2S2/c24-16-8-2-1-7-15(16)23-27(22(29)14-30-23)25-21(28)13-26-17-9-3-5-11-19(17)31-20-12-6-4-10-18(20)26/h1-12,23H,13-14H2,(H,25,28)
InChIKeyMITWKFCGDIYBEG-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.25
Rot. Bonds4

About N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide

N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide (PubChem CID 10528264) has the molecular formula C23H18ClN3O2S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
PubChem CID10528264
Molecular FormulaC23H18ClN3O2S2
Molecular Weight468.00 g/mol
Exact Mass467.05
IUPAC NameN-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
SMILESO=C(CN1c2ccccc2Sc2ccccc21)NN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2S2/c24-16-8-2-1-7-15(16)23-27(22(29)14-30-23)25-21(28)13-26-17-9-3-5-11-19(17)31-20-12-6-4-10-18(20)26/h1-12,23H,13-14H2,(H,25,28)
InChIKeyMITWKFCGDIYBEG-UHFFFAOYSA-N
XLogP5.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 56930776
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 56930780
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42814418
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 57331816
4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
CID 3340394
2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11802058
2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11575624
2-(2-methylphenyl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-3-carboxamide
CID 71593964
2-[(2S)-3-[(2-chlorophenyl)carbamothioylamino]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 6979612
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide
CID 72722212
N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11571232

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide (CID 10528264) is N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide is O=C(CN1c2ccccc2Sc2ccccc21)NN1C(=O)CSC1c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
The InChIKey is MITWKFCGDIYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S2/c24-16-8-2-1-7-15(16)23-27(22(29)14-30-23)25-21(28)13-26-17-9-3-5-11-19(17)31-20-12-6-4-10-18(20)26/h1-12,23H,13-14H2,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide has a molecular weight of 468.00 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide is sourced from PubChem (CID 10528264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).