4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine

C9H9BrN2OS — CID 82549421

IUPAC4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(Br)cc(OC)cc2s1
InChIInChI=1S/C9H9BrN2OS/c1-11-9-12-8-6(10)3-5(13-2)4-7(8)14-9/h3-4H,1-2H3,(H,11,12)
InChIKeyVZTIUPNQPXNXRB-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.11
Rot. Bonds2

About 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine

4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549421) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82549421
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(Br)cc(OC)cc2s1
InChIInChI=1S/C9H9BrN2OS/c1-11-9-12-8-6(10)3-5(13-2)4-7(8)14-9/h3-4H,1-2H3,(H,11,12)
InChIKeyVZTIUPNQPXNXRB-UHFFFAOYSA-N
XLogP3.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole
CID 146163543
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
6-[(2-bromo-4-pyridinyl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine;propane
CID 142389739
2-(4-bromo-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 178049407
6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
CID 82549197
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine (CID 82549421) is 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2c(Br)cc(OC)cc2s1.
What is the InChIKey of 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is VZTIUPNQPXNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-11-9-12-8-6(10)3-5(13-2)4-7(8)14-9/h3-4H,1-2H3,(H,11,12).
What are the key properties of 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 273.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).