N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C18H24BrN3OS — CID 67348468

IUPACN-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H24BrN3OS/c1-22-16(11-17(23)20-15-9-7-13(19)8-10-15)12-24-18(22)21-14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3,(H,20,23)/b21-18-
InChIKeyVKLMWVLCUSXVJM-UZYVYHOESA-N
MW410.38 g/mol
LogP4.51
Rot. Bonds4

About N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67348468) has the molecular formula C18H24BrN3OS and a molecular weight of 410.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67348468
Molecular FormulaC18H24BrN3OS
Molecular Weight410.38 g/mol
Exact Mass409.08
IUPAC NameN-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H24BrN3OS/c1-22-16(11-17(23)20-15-9-7-13(19)8-10-15)12-24-18(22)21-14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3,(H,20,23)/b21-18-
InChIKeyVKLMWVLCUSXVJM-UZYVYHOESA-N
XLogP4.51
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 67347315
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
CID 67349502
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67348468) is N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is VKLMWVLCUSXVJM-UZYVYHOESA-N. The full InChI is InChI=1S/C18H24BrN3OS/c1-22-16(11-17(23)20-15-9-7-13(19)8-10-15)12-24-18(22)21-14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3,(H,20,23)/b21-18-.
What are the key properties of N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 410.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67348468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).