4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride

C18H24Cl2N4O3S — CID 135753330

IUPAC4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride
SMILESCOc1cc(-c2csc(/C(N)=N\O)n2)cc(Cl)c1OCCN1CCCCC1.Cl
InChIInChI=1S/C18H23ClN4O3S.ClH/c1-25-15-10-12(14-11-27-18(21-14)17(20)22-24)9-13(19)16(15)26-8-7-23-5-3-2-4-6-23;/h9-11,24H,2-8H2,1H3,(H2,20,22);1H
InChIKeyWJGWVSOXKCYADI-UHFFFAOYSA-N
MW447.39 g/mol
LogP3.85
Rot. Bonds7

About 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride

4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride (PubChem CID 135753330) has the molecular formula C18H24Cl2N4O3S and a molecular weight of 447.39 g/mol. Its IUPAC name is 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride
PubChem CID135753330
Molecular FormulaC18H24Cl2N4O3S
Molecular Weight447.39 g/mol
Exact Mass446.09
IUPAC Name4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride
SMILESCOc1cc(-c2csc(/C(N)=N\O)n2)cc(Cl)c1OCCN1CCCCC1.Cl
InChIInChI=1S/C18H23ClN4O3S.ClH/c1-25-15-10-12(14-11-27-18(21-14)17(20)22-24)9-13(19)16(15)26-8-7-23-5-3-2-4-6-23;/h9-11,24H,2-8H2,1H3,(H2,20,22);1H
InChIKeyWJGWVSOXKCYADI-UHFFFAOYSA-N
XLogP3.85
TPSA93.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;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

2-[2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20989993
3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 22687308
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107912480
N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide
CID 22683562
2-chloro-4-[6-fluoro-9-methoxy-1-methyl-8-(2-piperidin-1-ylethoxy)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135991097
5-bromo-3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 20991669
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
CID 107197723

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride?
The IUPAC name of 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride (CID 135753330) is 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride is COc1cc(-c2csc(/C(N)=N\O)n2)cc(Cl)c1OCCN1CCCCC1.Cl.
What is the InChIKey of 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride?
The InChIKey is WJGWVSOXKCYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S.ClH/c1-25-15-10-12(14-11-27-18(21-14)17(20)22-24)9-13(19)16(15)26-8-7-23-5-3-2-4-6-23;/h9-11,24H,2-8H2,1H3,(H2,20,22);1H.
What are the key properties of 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride?
4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride has a molecular weight of 447.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 135753330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).