5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride

C15H21Cl2N3OS — CID 120646852

IUPAC5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)c2cc(N)ccc2C)cs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-4-14-18-13(8-20-14)10(3)17-15(19)12-7-11(16)6-5-9(12)2;;/h5-8,10H,4,16H2,1-3H3,(H,17,19);2*1H
InChIKeyDGPOCJHKNUUPEN-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.93
Rot. Bonds4

About 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride

5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120646852) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
PubChem CID120646852
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)c2cc(N)ccc2C)cs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-4-14-18-13(8-20-14)10(3)17-15(19)12-7-11(16)6-5-9(12)2;;/h5-8,10H,4,16H2,1-3H3,(H,17,19);2*1H
InChIKeyDGPOCJHKNUUPEN-UHFFFAOYSA-N
XLogP3.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride 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

3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119128262
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120638330
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119886452
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886464
4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
CID 120596918
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 126794943
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride (CID 120646852) is 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride is CCc1nc(C(C)NC(=O)c2cc(N)ccc2C)cs1.Cl.Cl.
What is the InChIKey of 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is DGPOCJHKNUUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-4-14-18-13(8-20-14)10(3)17-15(19)12-7-11(16)6-5-9(12)2;;/h5-8,10H,4,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120646852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).