6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine

C9H9BrN2S — CID 82549197

IUPAC6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(C)c(Br)cc2s1
InChIInChI=1S/C9H9BrN2S/c1-5-3-7-8(4-6(5)10)13-9(11-2)12-7/h3-4H,1-2H3,(H,11,12)
InChIKeyDNBSWFFJRQKWCP-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.41
Rot. Bonds1

About 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine

6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 82549197) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
PubChem CID82549197
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC Name6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(C)c(Br)cc2s1
InChIInChI=1S/C9H9BrN2S/c1-5-3-7-8(4-6(5)10)13-9(11-2)12-7/h3-4H,1-2H3,(H,11,12)
InChIKeyDNBSWFFJRQKWCP-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-5-methyl-1,3-benzothiazol-2-yl)methanamine
CID 39106445
(2S)-N-(5-bromo-6-methyl-1,3-benzothiazol-2-yl)-2-chloropropanamide
CID 28661972
3-(6-bromo-5-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107334
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
N-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine
CID 82548439
2-(methylamino)-1,3-benzothiazole-5-carboxylic acid
CID 18377605
N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
CID 12741815
ethane;5-N-ethyl-2-N-methyl-1,3-benzothiazole-2,5-diamine
CID 142222190
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 45496447

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine (CID 82549197) is 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine is CNc1nc2cc(C)c(Br)cc2s1.
What is the InChIKey of 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is DNBSWFFJRQKWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c1-5-3-7-8(4-6(5)10)13-9(11-2)12-7/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine?
6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 257.16 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).