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

C14H18ClN3OS — CID 119797578

IUPAC2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(N)cc1)c1nc(C)cs1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-3-17(14-16-10(2)9-19-14)13(18)8-11-4-6-12(15)7-5-11;/h4-7,9H,3,8,15H2,1-2H3;1H
InChIKeySHTDVWCUQBAHFX-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.05
Rot. Bonds4

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

2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 119797578) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID119797578
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(N)cc1)c1nc(C)cs1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-3-17(14-16-10(2)9-19-14)13(18)8-11-4-6-12(15)7-5-11;/h4-7,9H,3,8,15H2,1-2H3;1H
InChIKeySHTDVWCUQBAHFX-UHFFFAOYSA-N
XLogP3.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951862
(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
3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501354
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 60875705
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119939621
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 63234126

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (CID 119797578) is 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is CCN(C(=O)Cc1ccc(N)cc1)c1nc(C)cs1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is SHTDVWCUQBAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-3-17(14-16-10(2)9-19-14)13(18)8-11-4-6-12(15)7-5-11;/h4-7,9H,3,8,15H2,1-2H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119797578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).