6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine

C11H13BrN2S — CID 82549434

IUPAC6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(CC)cc(Br)cc2s1
InChIInChI=1S/C11H13BrN2S/c1-3-7-5-8(12)6-9-10(7)14-11(15-9)13-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyZAUIVBKPALVEQH-UHFFFAOYSA-N
MW285.21 g/mol
LogP4.05
Rot. Bonds3

About 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine

6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine (PubChem CID 82549434) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine
PubChem CID82549434
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(CC)cc(Br)cc2s1
InChIInChI=1S/C11H13BrN2S/c1-3-7-5-8(12)6-9-10(7)14-11(15-9)13-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyZAUIVBKPALVEQH-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(6-bromo-4-ethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244827
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
6-bromo-4-propan-2-yl-N-propyl-1,3-benzothiazol-2-amine
CID 82549350
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
6-bromo-N,8-diethyl-3-propylquinolin-2-amine
CID 81289355
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 82548822
2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol
CID 138721464
2-acetamido-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87933707
2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide
CID 17244625
4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548617
methyl 2-[[4-bromo-2-[(2-methoxy-2-oxoethyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]amino]acetate
CID 24890286
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine (CID 82549434) is 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine is CCNc1nc2c(CC)cc(Br)cc2s1.
What is the InChIKey of 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine?
The InChIKey is ZAUIVBKPALVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-3-7-5-8(12)6-9-10(7)14-11(15-9)13-4-2/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine?
6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine has a molecular weight of 285.21 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).