2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide

C8H12BrN3OS — CID 79400004

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nc(Br)cs1
InChIInChI=1S/C8H12BrN3OS/c1-11(2)7(13)4-12(3)8-10-6(9)5-14-8/h5H,4H2,1-3H3
InChIKeyHAZMFLVZASWULR-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.43
Rot. Bonds3

About 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide

2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 79400004) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID79400004
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nc(Br)cs1
InChIInChI=1S/C8H12BrN3OS/c1-11(2)7(13)4-12(3)8-10-6(9)5-14-8/h5H,4H2,1-3H3
InChIKeyHAZMFLVZASWULR-UHFFFAOYSA-N
XLogP1.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 79400515
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-4-carboxylic acid
CID 70845902
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
CID 79399141
1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79400046
N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 79399304
2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
CID 79399792
4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 67962478
4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 104696832
4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79864884
4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 79398898
3-[(4-bromo-1,3-thiazol-2-yl)-methylamino]propanethioamide
CID 79399462
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 79399676

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide (CID 79400004) is 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is HAZMFLVZASWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c1-11(2)7(13)4-12(3)8-10-6(9)5-14-8/h5H,4H2,1-3H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 278.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79400004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).