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

C23H18ClN3O2S2 — CID 10671957

IUPACN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
SMILESO=C(CN1c2ccccc2Sc2ccccc21)NN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2S2/c24-16-11-9-15(10-12-16)23-27(22(29)14-30-23)25-21(28)13-26-17-5-1-3-7-19(17)31-20-8-4-2-6-18(20)26/h1-12,23H,13-14H2,(H,25,28)
InChIKeyLAARLLRWYMEHQY-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.25
Rot. Bonds4

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

N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide (PubChem CID 10671957) has the molecular formula C23H18ClN3O2S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
PubChem CID10671957
Molecular FormulaC23H18ClN3O2S2
Molecular Weight468.00 g/mol
Exact Mass467.05
IUPAC NameN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
SMILESO=C(CN1c2ccccc2Sc2ccccc21)NN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2S2/c24-16-11-9-15(10-12-16)23-27(22(29)14-30-23)25-21(28)13-26-17-5-1-3-7-19(17)31-20-8-4-2-6-18(20)26/h1-12,23H,13-14H2,(H,25,28)
InChIKeyLAARLLRWYMEHQY-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-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10528264
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11024209
2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11802058
1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
CID 14145607
N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 56930776
N-[2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide
CID 53494524
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 56930780
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[4-oxo-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]acetamide
CID 57331812
N-[2-[[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 15696973
2-carbazol-9-yl-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 10812585
N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide
CID 25140448
(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide (CID 10671957) is N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide is O=C(CN1c2ccccc2Sc2ccccc21)NN1C(=O)CSC1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
The InChIKey is LAARLLRWYMEHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S2/c24-16-11-9-15(10-12-16)23-27(22(29)14-30-23)25-21(28)13-26-17-5-1-3-7-19(17)31-20-8-4-2-6-18(20)26/h1-12,23H,13-14H2,(H,25,28).
What are the key properties of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide?
N-[2-(4-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-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide is sourced from PubChem (CID 10671957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).