5-bromo-7-methyl-1,3-benzothiazol-2-amine

C8H7BrN2S — CID 89313345

IUPAC5-bromo-7-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc(Br)cc2nc(N)sc12
InChIInChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyDCVYIRICHCIPMA-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.95
Rot. Bonds

About 5-bromo-7-methyl-1,3-benzothiazol-2-amine

5-bromo-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 89313345) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-bromo-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-7-methyl-1,3-benzothiazol-2-amine
PubChem CID89313345
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name5-bromo-7-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc(Br)cc2nc(N)sc12
InChIInChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyDCVYIRICHCIPMA-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-7-methyl-1,3-benzothiazol-2-amine (CID 89313345) is 5-bromo-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-7-methyl-1,3-benzothiazol-2-amine is Cc1cc(Br)cc2nc(N)sc12.
What is the InChIKey of 5-bromo-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is DCVYIRICHCIPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 5-bromo-7-methyl-1,3-benzothiazol-2-amine?
5-bromo-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 243.13 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89313345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).