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

C8H7BrN2S — CID 17244948

IUPAC6-bromo-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc(Br)cc2sc(N)nc12
InChIInChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
InChIKeyCQNDRYGENLEDAA-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.95
Rot. Bonds

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

6-bromo-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 17244948) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 6-bromo-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-4-methyl-1,3-benzothiazol-2-amine
PubChem CID17244948
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name6-bromo-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc(Br)cc2sc(N)nc12
InChIInChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
InChIKeyCQNDRYGENLEDAA-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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Related Compounds

6-bromo-2-iodo-4-methyl-1,3-benzothiazole
CID 129137986
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
5-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 130055583
5-bromo-7-methyl-1,3-benzothiazol-2-amine
CID 89313345
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079
2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
CID 138714330
6-bromo-4-(diethylphosphorylmethoxy)-1,3-benzothiazol-2-amine
CID 141029067
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
CID 28689590
methyl (2S)-2-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 51389501
4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 131891713
5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 83667987

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-4-methyl-1,3-benzothiazol-2-amine (CID 17244948) is 6-bromo-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-4-methyl-1,3-benzothiazol-2-amine is Cc1cc(Br)cc2sc(N)nc12.
What is the InChIKey of 6-bromo-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is CQNDRYGENLEDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 6-bromo-4-methyl-1,3-benzothiazol-2-amine?
6-bromo-4-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 6-bromo-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 17244948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).