N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide

C13H16N4OS — CID 55013341

IUPACN-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(N)cc1)Cc1cscn1
InChIInChI=1S/C13H16N4OS/c1-17(6-12-8-19-9-15-12)7-13(18)16-11-4-2-10(14)3-5-11/h2-5,8-9H,6-7,14H2,1H3,(H,16,18)
InChIKeyPUHHFBVBILGRRG-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.80
Rot. Bonds5

About N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide

N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide (PubChem CID 55013341) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
PubChem CID55013341
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(N)cc1)Cc1cscn1
InChIInChI=1S/C13H16N4OS/c1-17(6-12-8-19-9-15-12)7-13(18)16-11-4-2-10(14)3-5-11/h2-5,8-9H,6-7,14H2,1H3,(H,16,18)
InChIKeyPUHHFBVBILGRRG-UHFFFAOYSA-N
XLogP1.80
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 71976792
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 51087238
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462979
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051653

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide (CID 55013341) is N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc(N)cc1)Cc1cscn1.
What is the InChIKey of N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
The InChIKey is PUHHFBVBILGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(6-12-8-19-9-15-12)7-13(18)16-11-4-2-10(14)3-5-11/h2-5,8-9H,6-7,14H2,1H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 55013341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).