2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide

C13H16BrN3OS — CID 103112246

IUPAC2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C13H16BrN3OS/c1-4-17(3)12(18)8(2)15-13-16-10-6-5-9(14)7-11(10)19-13/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyYGBXTHPRXLTABS-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.34
Rot. Bonds4

About 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide

2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103112246) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103112246
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C13H16BrN3OS/c1-4-17(3)12(18)8(2)15-13-16-10-6-5-9(14)7-11(10)19-13/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyYGBXTHPRXLTABS-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
6-bromo-N-(4-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79527837
2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 106346324
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-N-ethylpropanamide
CID 54959098
2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 17244664
(2S)-2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 28663164
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
6-bromo-N-(2,2,3-trimethylbutyl)-1,3-benzothiazol-2-amine
CID 114101102
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide (CID 103112246) is 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is YGBXTHPRXLTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-4-17(3)12(18)8(2)15-13-16-10-6-5-9(14)7-11(10)19-13/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 342.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103112246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).