5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine

C13H18N2O2S — CID 106664938

IUPAC5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine
SMILESCOC(C)(C)CCOc1ccc2scnc2c1N
InChIInChI=1S/C13H18N2O2S/c1-13(2,16-3)6-7-17-9-4-5-10-12(11(9)14)15-8-18-10/h4-5,8H,6-7,14H2,1-3H3
InChIKeyRGIJIEFAZRUZLM-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.07
Rot. Bonds5

About 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine

5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine (PubChem CID 106664938) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine
PubChem CID106664938
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine
SMILESCOC(C)(C)CCOc1ccc2scnc2c1N
InChIInChI=1S/C13H18N2O2S/c1-13(2,16-3)6-7-17-9-4-5-10-12(11(9)14)15-8-18-10/h4-5,8H,6-7,14H2,1-3H3
InChIKeyRGIJIEFAZRUZLM-UHFFFAOYSA-N
XLogP3.07
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-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

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzothiazol-4-amine
CID 112587112
5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine
CID 103176807
5-propan-2-yloxy-1,3-benzothiazol-4-amine
CID 43451523
5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
CID 43451511
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
5-(oxolan-3-ylmethoxy)-1,3-benzothiazol-4-amine
CID 54976846
5-ethylsulfonyl-1,3-benzothiazol-4-amine
CID 43451183
2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
CID 102975066
5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
CID 64744714
5-N-(3-methoxypropyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 55141849
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
CID 103032541

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine (CID 106664938) is 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine is COC(C)(C)CCOc1ccc2scnc2c1N.
What is the InChIKey of 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine?
The InChIKey is RGIJIEFAZRUZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,16-3)6-7-17-9-4-5-10-12(11(9)14)15-8-18-10/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine?
5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine has a molecular weight of 266.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 106664938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).