N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C17H23Cl2N3O2S — CID 119778561

IUPACN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.Cl
InChIInChI=1S/C17H22ClN3O2S.ClH/c1-11(20-15(22)10-19-8-9-23-3)16-12(2)21-17(24-16)13-4-6-14(18)7-5-13;/h4-7,11,19H,8-10H2,1-3H3,(H,20,22);1H
InChIKeySMRHSYJBOHETRF-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.61
Rot. Bonds8

About N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119778561) has the molecular formula C17H23Cl2N3O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119778561
Molecular FormulaC17H23Cl2N3O2S
Molecular Weight404.36 g/mol
Exact Mass403.09
IUPAC NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.Cl
InChIInChI=1S/C17H22ClN3O2S.ClH/c1-11(20-15(22)10-19-8-9-23-3)16-12(2)21-17(24-16)13-4-6-14(18)7-5-13;/h4-7,11,19H,8-10H2,1-3H3,(H,20,22);1H
InChIKeySMRHSYJBOHETRF-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)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-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119778547
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119778537
1-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-(2-hydroxyethyl)urea
CID 95759999
2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
CID 119778553
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide
CID 86896581
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119325852
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 119750102
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119787457
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
4-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoylamino]butanoic acid
CID 122001200

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119778561) is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.Cl.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is SMRHSYJBOHETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S.ClH/c1-11(20-15(22)10-19-8-9-23-3)16-12(2)21-17(24-16)13-4-6-14(18)7-5-13;/h4-7,11,19H,8-10H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 404.36 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119778561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).