4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide

C13H16N4OS — CID 63361104

IUPAC4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2nccs2)c1
InChIInChI=1S/C13H16N4OS/c1-17(2)13(18)9-3-4-10(14)11(7-9)16-8-12-15-5-6-19-12/h3-7,16H,8,14H2,1-2H3
InChIKeyYAQXTAOGLANOJC-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide

4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide (PubChem CID 63361104) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
PubChem CID63361104
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2nccs2)c1
InChIInChI=1S/C13H16N4OS/c1-17(2)13(18)9-3-4-10(14)11(7-9)16-8-12-15-5-6-19-12/h3-7,16H,8,14H2,1-2H3
InChIKeyYAQXTAOGLANOJC-UHFFFAOYSA-N
XLogP2.04
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
CID 106894872
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
methyl 4-amino-3-[2-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 82796444
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide (CID 63361104) is 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(N)c(NCc2nccs2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
The InChIKey is YAQXTAOGLANOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(2)13(18)9-3-4-10(14)11(7-9)16-8-12-15-5-6-19-12/h3-7,16H,8,14H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide has a molecular weight of 276.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide is sourced from PubChem (CID 63361104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).