(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine

C10H11BrN2S — CID 82379127

IUPAC(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCc1cc(Br)c2nc([C@H](C)N)sc2c1
InChIInChI=1S/C10H11BrN2S/c1-5-3-7(11)9-8(4-5)14-10(13-9)6(2)12/h3-4,6H,12H2,1-2H3/t6-/m0/s1
InChIKeyDYWSSCZGYCCEBO-LURJTMIESA-N
MW271.18 g/mol
LogP3.39
Rot. Bonds1

About (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine

(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 82379127) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
PubChem CID82379127
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCc1cc(Br)c2nc([C@H](C)N)sc2c1
InChIInChI=1S/C10H11BrN2S/c1-5-3-7(11)9-8(4-5)14-10(13-9)6(2)12/h3-4,6H,12H2,1-2H3/t6-/m0/s1
InChIKeyDYWSSCZGYCCEBO-LURJTMIESA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 84641537
4-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)aniline
CID 84645770
3-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)aniline
CID 84645769
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
CID 84645394
8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62914764
1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83693671
(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
CID 84629932
1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
CID 83693661
tert-butyl N-[2-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)propan-2-yl]carbamate
CID 178049081
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
CID 83693258
1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine
CID 82409429

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine (CID 82379127) is (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine is Cc1cc(Br)c2nc([C@H](C)N)sc2c1.
What is the InChIKey of (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is DYWSSCZGYCCEBO-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-5-3-7(11)9-8(4-5)14-10(13-9)6(2)12/h3-4,6H,12H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 271.18 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 82379127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).