N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine

C15H12Br2N2OS — CID 78908770

IUPACN-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3ccc(Br)cc3Br)sc2c1
InChIInChI=1S/C15H12Br2N2OS/c1-2-20-10-4-6-13-14(8-10)21-15(19-13)18-12-5-3-9(16)7-11(12)17/h3-8H,2H2,1H3,(H,18,19)
InChIKeyQVVLXJZKWANLSB-UHFFFAOYSA-N
MW428.15 g/mol
LogP5.96
Rot. Bonds4

About N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine

N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 78908770) has the molecular formula C15H12Br2N2OS and a molecular weight of 428.15 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
PubChem CID78908770
Molecular FormulaC15H12Br2N2OS
Molecular Weight428.15 g/mol
Exact Mass425.90
IUPAC NameN-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3ccc(Br)cc3Br)sc2c1
InChIInChI=1S/C15H12Br2N2OS/c1-2-20-10-4-6-13-14(8-10)21-15(19-13)18-12-5-3-9(16)7-11(12)17/h3-8H,2H2,1H3,(H,18,19)
InChIKeyQVVLXJZKWANLSB-UHFFFAOYSA-N
XLogP5.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.15
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 63874590
N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 107601409
N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 81288755
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
1-(4-bromophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825553
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide
CID 170506052
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
1-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
CID 83085276

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine (CID 78908770) is N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine is CCOc1ccc2nc(Nc3ccc(Br)cc3Br)sc2c1.
What is the InChIKey of N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is QVVLXJZKWANLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2OS/c1-2-20-10-4-6-13-14(8-10)21-15(19-13)18-12-5-3-9(16)7-11(12)17/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 428.15 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).