5-methoxy-2-methyl-1,3-benzothiazol-6-amine

C9H10N2OS — CID 759779

IUPAC5-methoxy-2-methyl-1,3-benzothiazol-6-amine
SMILESCOc1cc2nc(C)sc2cc1N
InChIInChI=1S/C9H10N2OS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,10H2,1-2H3
InChIKeyRHXTVXUTSAGLOS-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.20
Rot. Bonds1

About 5-methoxy-2-methyl-1,3-benzothiazol-6-amine

5-methoxy-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 759779) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-1,3-benzothiazol-6-amine
PubChem CID759779
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name5-methoxy-2-methyl-1,3-benzothiazol-6-amine
SMILESCOc1cc2nc(C)sc2cc1N
InChIInChI=1S/C9H10N2OS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,10H2,1-2H3
InChIKeyRHXTVXUTSAGLOS-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-benzothiazolamine
CID 41055
Benzothiazole, 5,6-dimethoxy-2-methyl-
CID 112829
N-(2,5-dimethoxyphenyl)-2-benzothiazolecarboxamide
CID 2445266
5-Methoxy-2-methyl-6-(methylthio)benzo[d]thiazole
CID 744441
4-Methoxy-benzothiazole-2,6-diamine
CID 768524
5-Methoxy-2,3-dimethylbenzothiazol-3-ium iodide
CID 15811945
5-Methoxy-2-methylbenzothiazole
CID 76252
Cgp 20376
CID 3035447
N-[2-(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline
CID 775697
3-ethyl-5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium
CID 1625316
5-Methoxybenzothiazole
CID 12422200
N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide
CID 649185

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-methoxy-2-methyl-1,3-benzothiazol-6-amine (CID 759779) is 5-methoxy-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-methoxy-2-methyl-1,3-benzothiazol-6-amine is COc1cc2nc(C)sc2cc1N.
What is the InChIKey of 5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is RHXTVXUTSAGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,10H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
5-methoxy-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 194.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).