N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide

C21H26BrN3O2S — CID 4622176

IUPACN-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
SMILESC=CC/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C21H26BrN3O2S/c1-2-13-23-21-25(17-7-5-3-4-6-8-17)20(27)18(28-21)14-19(26)24-16-11-9-15(22)10-12-16/h2,9-12,17-18H,1,3-8,13-14H2,(H,24,26)/b23-21-
InChIKeyJVRGQRSGGAGBNJ-LNVKXUELSA-N
MW464.43 g/mol
LogP4.99
Rot. Bonds6

About N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide

N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 4622176) has the molecular formula C21H26BrN3O2S and a molecular weight of 464.43 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID4622176
Molecular FormulaC21H26BrN3O2S
Molecular Weight464.43 g/mol
Exact Mass463.09
IUPAC NameN-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
SMILESC=CC/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C21H26BrN3O2S/c1-2-13-23-21-25(17-7-5-3-4-6-8-17)20(27)18(28-21)14-19(26)24-16-11-9-15(22)10-12-16/h2,9-12,17-18H,1,3-8,13-14H2,(H,24,26)/b23-21-
InChIKeyJVRGQRSGGAGBNJ-LNVKXUELSA-N
XLogP4.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 98163008
2-[(5S)-3-cycloheptyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1217857
2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1285662
N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 45145533
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935
N-(4-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2104628
2-[(5S)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51665664
2-[(5S)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 98156976
2-[(2E)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 6176765
2-[2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3921463

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide (CID 4622176) is N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide is C=CC/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCCCC1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JVRGQRSGGAGBNJ-LNVKXUELSA-N. The full InChI is InChI=1S/C21H26BrN3O2S/c1-2-13-23-21-25(17-7-5-3-4-6-8-17)20(27)18(28-21)14-19(26)24-16-11-9-15(22)10-12-16/h2,9-12,17-18H,1,3-8,13-14H2,(H,24,26)/b23-21-.
What are the key properties of N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide?
N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 464.43 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 4622176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).