6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine

C16H13BrN2S — CID 107853185

IUPAC6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3Cc4ccccc4C3)sc2c1
InChIInChI=1S/C16H13BrN2S/c17-12-5-6-14-15(9-12)20-16(19-14)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,18,19)
InChIKeyMDWJMLVAXAGVET-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.64
Rot. Bonds2

About 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine

6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 107853185) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
PubChem CID107853185
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3Cc4ccccc4C3)sc2c1
InChIInChI=1S/C16H13BrN2S/c17-12-5-6-14-15(9-12)20-16(19-14)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,18,19)
InChIKeyMDWJMLVAXAGVET-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
CID 79524987
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
CID 79528609
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
5-bromo-N-(1-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 43373632
6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
CID 53379786
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 63547158
6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
CID 83017969
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine (CID 107853185) is 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine is Brc1ccc2nc(NC3Cc4ccccc4C3)sc2c1.
What is the InChIKey of 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MDWJMLVAXAGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c17-12-5-6-14-15(9-12)20-16(19-14)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,18,19).
What are the key properties of 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine?
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 345.27 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107853185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).