5-bromo-1,2-benzothiazol-3-amine

C7H5BrN2S — CID 10398915

IUPAC5-bromo-1,2-benzothiazol-3-amine
SMILESNc1nsc2ccc(Br)cc12
InChIInChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKeyNTLSBZHEUNMUAP-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.64
Rot. Bonds

About 5-bromo-1,2-benzothiazol-3-amine

5-bromo-1,2-benzothiazol-3-amine (PubChem CID 10398915) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 5-bromo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name5-bromo-1,2-benzothiazol-3-amine
PubChem CID10398915
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name5-bromo-1,2-benzothiazol-3-amine
SMILESNc1nsc2ccc(Br)cc12
InChIInChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKeyNTLSBZHEUNMUAP-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-1,2-benzothiazol-3-yl)methyl]hydroxylamine
CID 82623697
5-bromo-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride
CID 22165644
6-chloro-5-methyl-1,2-benzothiazol-3-amine
CID 58841117
2-bromo-8-iododibenzothiophene
CID 90306270
5,18-dibromo-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004069
5-bromo-3-[(4-methylimidazol-1-yl)methyl]-1,2-benzothiazole;hydrochloride
CID 22165637
5-bromo-3-[(4-methylimidazol-1-yl)methyl]-1,2-benzothiazole
CID 14575061
(5-bromo-1,2-benzothiazol-3-yl)methanol;methyl 5-bromo-1,2-benzothiazole-3-carboxylate
CID 157420920
6-bromoisoquinoline-1,4-diamine
CID 84700564
5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine
CID 167863871
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
2-bromodibenzothiophene;dibenzothiophene
CID 158379286

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2-benzothiazol-3-amine?
The IUPAC name of 5-bromo-1,2-benzothiazol-3-amine (CID 10398915) is 5-bromo-1,2-benzothiazol-3-amine.
What is the SMILES notation for 5-bromo-1,2-benzothiazol-3-amine?
The canonical SMILES for 5-bromo-1,2-benzothiazol-3-amine is Nc1nsc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1,2-benzothiazol-3-amine?
The InChIKey is NTLSBZHEUNMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10).
What are the key properties of 5-bromo-1,2-benzothiazol-3-amine?
5-bromo-1,2-benzothiazol-3-amine has a molecular weight of 229.10 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 10398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).