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

C8H6BrClN2S — CID 82549373

IUPAC4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(Br)cc(Cl)cc2s1
InChIInChI=1S/C8H6BrClN2S/c1-11-8-12-7-5(9)2-4(10)3-6(7)13-8/h2-3H,1H3,(H,11,12)
InChIKeySRJYURDRERFMTE-UHFFFAOYSA-N
MW277.57 g/mol
LogP3.75
Rot. Bonds1

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

4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549373) has the molecular formula C8H6BrClN2S and a molecular weight of 277.57 g/mol. Its IUPAC name is 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82549373
Molecular FormulaC8H6BrClN2S
Molecular Weight277.57 g/mol
Exact Mass275.91
IUPAC Name4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(Br)cc(Cl)cc2s1
InChIInChI=1S/C8H6BrClN2S/c1-11-8-12-7-5(9)2-4(10)3-6(7)13-8/h2-3H,1H3,(H,11,12)
InChIKeySRJYURDRERFMTE-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 140701361
(2S)-N-(4-bromo-6-chloro-1,3-benzothiazol-2-yl)-2-chloropropanamide
CID 28662008
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
4-bromo-6-chloro-2-(2-chloroethyl)-1,3-benzothiazole
CID 130114164
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
CID 82549197
2-bromo-N-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244825
4-fluoro-2-(methylamino)-1,3-benzothiazole-6-carboxylic acid
CID 139407028
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine (CID 82549373) is 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2c(Br)cc(Cl)cc2s1.
What is the InChIKey of 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is SRJYURDRERFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2S/c1-11-8-12-7-5(9)2-4(10)3-6(7)13-8/h2-3H,1H3,(H,11,12).
What are the key properties of 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine?
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 277.57 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).