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

C8H7BrN2S — CID 11184113

IUPAC5-bromo-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(Br)ccc2s1
InChIInChI=1S/C8H7BrN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyRHEIKUIELFJNSE-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.10
Rot. Bonds1

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

5-bromo-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 11184113) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-bromo-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-1,3-benzothiazol-2-amine
PubChem CID11184113
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name5-bromo-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(Br)ccc2s1
InChIInChI=1S/C8H7BrN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyRHEIKUIELFJNSE-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-1,3-benzothiazol-2-amine (CID 11184113) is 5-bromo-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is RHEIKUIELFJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11).
What are the key properties of 5-bromo-N-methyl-1,3-benzothiazol-2-amine?
5-bromo-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 243.13 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11184113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).