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

C7H5BrN2S — CID 2049888

IUPAC4-bromo-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Br)cccc2s1
InChIInChI=1S/C7H5BrN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKeyFVMCARDEQKVVIS-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.64
Rot. Bonds

About 4-bromo-1,3-benzothiazol-2-amine

4-bromo-1,3-benzothiazol-2-amine (PubChem CID 2049888) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 4-bromo-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-bromo-1,3-benzothiazol-2-amine
PubChem CID2049888
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name4-bromo-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Br)cccc2s1
InChIInChI=1S/C7H5BrN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKeyFVMCARDEQKVVIS-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-benzothiazol-2-amine?
The IUPAC name of 4-bromo-1,3-benzothiazol-2-amine (CID 2049888) is 4-bromo-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-bromo-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-bromo-1,3-benzothiazol-2-amine is Nc1nc2c(Br)cccc2s1.
What is the InChIKey of 4-bromo-1,3-benzothiazol-2-amine?
The InChIKey is FVMCARDEQKVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10).
What are the key properties of 4-bromo-1,3-benzothiazol-2-amine?
4-bromo-1,3-benzothiazol-2-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 4-bromo-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2049888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).