7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C13H11Br3N2S — CID 79625093

IUPAC7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)C(c1c(Br)cc(Br)cc1Br)CCC2
InChIInChI=1S/C13H11Br3N2S/c14-6-4-8(15)11(9(16)5-6)7-2-1-3-10-12(7)19-13(17)18-10/h4-5,7H,1-3H2,(H2,17,18)
InChIKeyQZGBNVOOJGASFE-UHFFFAOYSA-N
MW467.02 g/mol
LogP5.48
Rot. Bonds1

About 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 79625093) has the molecular formula C13H11Br3N2S and a molecular weight of 467.02 g/mol. Its IUPAC name is 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID79625093
Molecular FormulaC13H11Br3N2S
Molecular Weight467.02 g/mol
Exact Mass463.82
IUPAC Name7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)C(c1c(Br)cc(Br)cc1Br)CCC2
InChIInChI=1S/C13H11Br3N2S/c14-6-4-8(15)11(9(16)5-6)7-2-1-3-10-12(7)19-13(17)18-10/h4-5,7H,1-3H2,(H2,17,18)
InChIKeyQZGBNVOOJGASFE-UHFFFAOYSA-N
XLogP5.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.02
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

7-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 115564801
7-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625310
2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-5-bromobenzonitrile
CID 82703534
7-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625621
7-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625918
7-(3-bromoquinolin-8-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 116785345
7-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625169
7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 162743847
7-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 104727929
7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79624951
6-[3-bromo-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 79633064
6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 79632651

Frequently Asked Questions

What is the IUPAC name of 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 79625093) is 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)C(c1c(Br)cc(Br)cc1Br)CCC2.
What is the InChIKey of 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is QZGBNVOOJGASFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2S/c14-6-4-8(15)11(9(16)5-6)7-2-1-3-10-12(7)19-13(17)18-10/h4-5,7H,1-3H2,(H2,17,18).
What are the key properties of 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 467.02 g/mol, XLogP of 5.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).