N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride

C18H23Cl2N3OS — CID 25122055

IUPACN-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)NCc2ccc(Cl)cc2)cs/c1=N\C1CCCC1
InChIInChI=1S/C18H22ClN3OS.ClH/c1-22-16(12-24-18(22)21-15-4-2-3-5-15)10-17(23)20-11-13-6-8-14(19)9-7-13;/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,23);1H/b21-18-;
InChIKeyOKRWAOXIAHVBJB-WIPIHYDQSA-N
MW400.38 g/mol
LogP3.86
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride

N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride (PubChem CID 25122055) has the molecular formula C18H23Cl2N3OS and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
PubChem CID25122055
Molecular FormulaC18H23Cl2N3OS
Molecular Weight400.38 g/mol
Exact Mass399.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)NCc2ccc(Cl)cc2)cs/c1=N\C1CCCC1
InChIInChI=1S/C18H22ClN3OS.ClH/c1-22-16(12-24-18(22)21-15-4-2-3-5-15)10-17(23)20-11-13-6-8-14(19)9-7-13;/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,23);1H/b21-18-;
InChIKeyOKRWAOXIAHVBJB-WIPIHYDQSA-N
XLogP3.86
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride 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-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122057
N-[(5-chloro-2-fluorophenyl)methyl]-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122431
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 25119605
N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 140532179
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 25119955
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
N-[(4-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5181942
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 119927205

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride (CID 25122055) is N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride is Cl.Cn1c(CC(=O)NCc2ccc(Cl)cc2)cs/c1=N\C1CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
The InChIKey is OKRWAOXIAHVBJB-WIPIHYDQSA-N. The full InChI is InChI=1S/C18H22ClN3OS.ClH/c1-22-16(12-24-18(22)21-15-4-2-3-5-15)10-17(23)20-11-13-6-8-14(19)9-7-13;/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,23);1H/b21-18-;.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride has a molecular weight of 400.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 25122055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).