2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C30H21Cl2N3O2S — CID 11766867

IUPAC2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1c2ccccc2c2ccccc21)NN1C(=O)/C(=C/c2ccccc2Cl)SC1c1ccccc1Cl
InChIInChI=1S/C30H21Cl2N3O2S/c31-23-13-5-1-9-19(23)17-27-29(37)35(30(38-27)22-12-2-6-14-24(22)32)33-28(36)18-34-25-15-7-3-10-20(25)21-11-4-8-16-26(21)34/h1-17,30H,18H2,(H,33,36)/b27-17-
InChIKeyKFUCMUJSZDEZML-PKAZHMFMSA-N
MW558.49 g/mol
LogP7.45
Rot. Bonds5

About 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 11766867) has the molecular formula C30H21Cl2N3O2S and a molecular weight of 558.49 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID11766867
Molecular FormulaC30H21Cl2N3O2S
Molecular Weight558.49 g/mol
Exact Mass557.07
IUPAC Name2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cn1c2ccccc2c2ccccc21)NN1C(=O)/C(=C/c2ccccc2Cl)SC1c1ccccc1Cl
InChIInChI=1S/C30H21Cl2N3O2S/c31-23-13-5-1-9-19(23)17-27-29(37)35(30(38-27)22-12-2-6-14-24(22)32)33-28(36)18-34-25-15-7-3-10-20(25)21-11-4-8-16-26(21)34/h1-17,30H,18H2,(H,33,36)/b27-17-
InChIKeyKFUCMUJSZDEZML-PKAZHMFMSA-N
XLogP7.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.49
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z)-2-(2-nitrophenyl)-5-[(2-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11123679
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 1373063
2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11802058
N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 5467494
2-carbazol-9-yl-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 10812585
(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one
CID 21142725
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide
CID 46251016
2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide
CID 55475083
2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide
CID 55659317
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
methyl 2-carbazol-9-ylacetate
CID 3745219

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 11766867) is 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(Cn1c2ccccc2c2ccccc21)NN1C(=O)/C(=C/c2ccccc2Cl)SC1c1ccccc1Cl.
What is the InChIKey of 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is KFUCMUJSZDEZML-PKAZHMFMSA-N. The full InChI is InChI=1S/C30H21Cl2N3O2S/c31-23-13-5-1-9-19(23)17-27-29(37)35(30(38-27)22-12-2-6-14-24(22)32)33-28(36)18-34-25-15-7-3-10-20(25)21-11-4-8-16-26(21)34/h1-17,30H,18H2,(H,33,36)/b27-17-.
What are the key properties of 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 558.49 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-N-[(5Z)-2-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 11766867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).