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

C19H26ClN3O2S — CID 67348328

IUPACN-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C)cc1Cl
InChIInChI=1S/C19H26ClN3O2S/c1-13(24)23(15-9-10-17(25-3)16(20)11-15)18-12-26-19(22(18)2)21-14-7-5-4-6-8-14/h9-11,14,18H,4-8,12H2,1-3H3/b21-19-
InChIKeyMKAXCMYVEFKEJX-VZCXRCSSSA-N
MW395.96 g/mol
LogP4.39
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67348328) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67348328
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C)cc1Cl
InChIInChI=1S/C19H26ClN3O2S/c1-13(24)23(15-9-10-17(25-3)16(20)11-15)18-12-26-19(22(18)2)21-14-7-5-4-6-8-14/h9-11,14,18H,4-8,12H2,1-3H3/b21-19-
InChIKeyMKAXCMYVEFKEJX-VZCXRCSSSA-N
XLogP4.39
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-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

N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348470
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67346263
N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67349516
N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 67346525
N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67349910
N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 67349071
N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 67350737
N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 67351269
N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(3,5-dichlorophenyl)acetamide;hydrochloride
CID 67347284
N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532173
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 140532179

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67348328) is N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is COc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is MKAXCMYVEFKEJX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-13(24)23(15-9-10-17(25-3)16(20)11-15)18-12-26-19(22(18)2)21-14-7-5-4-6-8-14/h9-11,14,18H,4-8,12H2,1-3H3/b21-19-.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 395.96 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67348328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).