3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride

C15H20ClN3OS — CID 120611119

IUPAC3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCCN(C(=O)CCc1ccccc1N)c1nc(C)cs1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-3-18(15-17-11(2)10-20-15)14(19)9-8-12-6-4-5-7-13(12)16;/h4-7,10H,3,8-9,16H2,1-2H3;1H
InChIKeyFHIVJALOEUHXAW-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.44
Rot. Bonds5

About 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride

3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride (PubChem CID 120611119) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
PubChem CID120611119
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCCN(C(=O)CCc1ccccc1N)c1nc(C)cs1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-3-18(15-17-11(2)10-20-15)14(19)9-8-12-6-4-5-7-13(12)16;/h4-7,10H,3,8-9,16H2,1-2H3;1H
InChIKeyFHIVJALOEUHXAW-UHFFFAOYSA-N
XLogP3.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;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-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119797578
3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951862
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251
(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331534
(2R)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331544
N-(2-aminophenyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 62365327
3-(2-aminophenyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 120612449
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501354

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride (CID 120611119) is 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride is CCN(C(=O)CCc1ccccc1N)c1nc(C)cs1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is FHIVJALOEUHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-3-18(15-17-11(2)10-20-15)14(19)9-8-12-6-4-5-7-13(12)16;/h4-7,10H,3,8-9,16H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120611119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).