2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide

C13H14BrN3OS — CID 154735587

IUPAC2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCc1ncc(Br)s1
InChIInChI=1S/C13H14BrN3OS/c1-17(2)13(18)9-5-3-4-6-10(9)15-8-12-16-7-11(14)19-12/h3-7,15H,8H2,1-2H3
InChIKeyMADUVTUJYITTRM-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.22
Rot. Bonds4

About 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide

2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 154735587) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID154735587
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCc1ncc(Br)s1
InChIInChI=1S/C13H14BrN3OS/c1-17(2)13(18)9-5-3-4-6-10(9)15-8-12-16-7-11(14)19-12/h3-7,15H,8H2,1-2H3
InChIKeyMADUVTUJYITTRM-UHFFFAOYSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide 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

N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62755607
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
CID 86930999

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide (CID 154735587) is 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NCc1ncc(Br)s1.
What is the InChIKey of 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is MADUVTUJYITTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-17(2)13(18)9-5-3-4-6-10(9)15-8-12-16-7-11(14)19-12/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 340.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 154735587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).