2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H16BrFN2S — CID 114887593

IUPAC2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3c(F)cccc3Br)sc2C(N)C1
InChIInChI=1S/C15H16BrFN2S/c1-15(2)6-10(18)13-11(7-15)19-14(20-13)12-8(16)4-3-5-9(12)17/h3-5,10H,6-7,18H2,1-2H3
InChIKeyOOXGIUKTXSOFEX-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.68
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 114887593) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID114887593
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC Name2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3c(F)cccc3Br)sc2C(N)C1
InChIInChI=1S/C15H16BrFN2S/c1-15(2)6-10(18)13-11(7-15)19-14(20-13)12-8(16)4-3-5-9(12)17/h3-5,10H,6-7,18H2,1-2H3
InChIKeyOOXGIUKTXSOFEX-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 114887593) is 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(-c3c(F)cccc3Br)sc2C(N)C1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is OOXGIUKTXSOFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c1-15(2)6-10(18)13-11(7-15)19-14(20-13)12-8(16)4-3-5-9(12)17/h3-5,10H,6-7,18H2,1-2H3.
What are the key properties of 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 355.28 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 114887593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).