N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C19H27Cl2N3OS — CID 140532179

IUPACN-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H26ClN3OS.ClH/c1-23-17(18(24)21-12-14-8-10-15(20)11-9-14)13-25-19(23)22-16-6-4-2-3-5-7-16;/h8-11,16-17H,2-7,12-13H2,1H3,(H,21,24);1H/b22-19-;
InChIKeyZPGWRLYRKZFSRX-GXTSIBQPSA-N
MW416.42 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 140532179) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID140532179
Molecular FormulaC19H27Cl2N3OS
Molecular Weight416.42 g/mol
Exact Mass415.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H26ClN3OS.ClH/c1-23-17(18(24)21-12-14-8-10-15(20)11-9-14)13-25-19(23)22-16-6-4-2-3-5-7-16;/h8-11,16-17H,2-7,12-13H2,1H3,(H,21,24);1H/b22-19-;
InChIKeyZPGWRLYRKZFSRX-GXTSIBQPSA-N
XLogP4.50
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.50
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-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532184
N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122057
N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122055
N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
CID 67348276
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67346263
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67348536
N-(4-chlorophenyl)-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 67348450

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 140532179) is N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CN1/C(=N/C2CCCCCC2)SCC1C(=O)NCc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is ZPGWRLYRKZFSRX-GXTSIBQPSA-N. The full InChI is InChI=1S/C19H26ClN3OS.ClH/c1-23-17(18(24)21-12-14-8-10-15(20)11-9-14)13-25-19(23)22-16-6-4-2-3-5-7-16;/h8-11,16-17H,2-7,12-13H2,1H3,(H,21,24);1H/b22-19-;.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 416.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 140532179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).