N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine

C15H12BrFN2OS — CID 107601409

IUPACN-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3c(F)cccc3Br)sc2c1
InChIInChI=1S/C15H12BrFN2OS/c1-2-20-9-6-7-12-13(8-9)21-15(18-12)19-14-10(16)4-3-5-11(14)17/h3-8H,2H2,1H3,(H,18,19)
InChIKeyKLCGQOUSQYINFO-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.34
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine

N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 107601409) has the molecular formula C15H12BrFN2OS and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
PubChem CID107601409
Molecular FormulaC15H12BrFN2OS
Molecular Weight367.24 g/mol
Exact Mass365.98
IUPAC NameN-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3c(F)cccc3Br)sc2c1
InChIInChI=1S/C15H12BrFN2OS/c1-2-20-9-6-7-12-13(8-9)21-15(18-12)19-14-10(16)4-3-5-11(14)17/h3-8H,2H2,1H3,(H,18,19)
InChIKeyKLCGQOUSQYINFO-UHFFFAOYSA-N
XLogP5.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 63874590
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64587663
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 172634499
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine (CID 107601409) is N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine is CCOc1ccc2nc(Nc3c(F)cccc3Br)sc2c1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is KLCGQOUSQYINFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2OS/c1-2-20-9-6-7-12-13(8-9)21-15(18-12)19-14-10(16)4-3-5-11(14)17/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine?
N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 367.24 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107601409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).