5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine

C11H14N2OS — CID 45077485

IUPAC5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine
SMILESCOc1cc2nc(C(C)C)sc2cc1N
InChIInChI=1S/C11H14N2OS/c1-6(2)11-13-8-5-9(14-3)7(12)4-10(8)15-11/h4-6H,12H2,1-3H3
InChIKeyHRXWFMGBIFJJCJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.01
Rot. Bonds2

About 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine

5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine (PubChem CID 45077485) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine
PubChem CID45077485
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine
SMILESCOc1cc2nc(C(C)C)sc2cc1N
InChIInChI=1S/C11H14N2OS/c1-6(2)11-13-8-5-9(14-3)7(12)4-10(8)15-11/h4-6H,12H2,1-3H3
InChIKeyHRXWFMGBIFJJCJ-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
CID 164566999
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
methyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)acetate
CID 117417547
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117399668
5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
CID 134533017
1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
CID 117433998
2-propan-2-yl-1,3-benzothiazol-4-amine
CID 83818222
2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
CID 84699598
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine (CID 45077485) is 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine is COc1cc2nc(C(C)C)sc2cc1N.
What is the InChIKey of 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine?
The InChIKey is HRXWFMGBIFJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-6(2)11-13-8-5-9(14-3)7(12)4-10(8)15-11/h4-6H,12H2,1-3H3.
What are the key properties of 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine?
5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine has a molecular weight of 222.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propan-2-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 45077485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).