2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride

C14H19Cl2N3OS — CID 119859279

IUPAC2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
SMILESCc1ncc(CN(C)C(=O)Cc2ccc(N)cc2)s1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-10-16-8-13(19-10)9-17(2)14(18)7-11-3-5-12(15)6-4-11;;/h3-6,8H,7,9,15H2,1-2H3;2*1H
InChIKeyAGFBTXOSASIJPD-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride (PubChem CID 119859279) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
PubChem CID119859279
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC Name2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
SMILESCc1ncc(CN(C)C(=O)Cc2ccc(N)cc2)s1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-10-16-8-13(19-10)9-17(2)14(18)7-11-3-5-12(15)6-4-11;;/h3-6,8H,7,9,15H2,1-2H3;2*1H
InChIKeyAGFBTXOSASIJPD-UHFFFAOYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.08
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

2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61110078
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 55827368
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 60949049
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107120715
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 56782403
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride (CID 119859279) is 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride is Cc1ncc(CN(C)C(=O)Cc2ccc(N)cc2)s1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride?
The InChIKey is AGFBTXOSASIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.2ClH/c1-10-16-8-13(19-10)9-17(2)14(18)7-11-3-5-12(15)6-4-11;;/h3-6,8H,7,9,15H2,1-2H3;2*1H.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 3.08, 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-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119859279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).