5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine

C13H18N2O3S — CID 103176807

IUPAC5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine
SMILESCOCCCOCCOc1ccc2scnc2c1N
InChIInChI=1S/C13H18N2O3S/c1-16-5-2-6-17-7-8-18-10-3-4-11-13(12(10)14)15-9-19-11/h3-4,9H,2,5-8,14H2,1H3
InChIKeyFYHLRKYNIORBQE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.31
Rot. Bonds8

About 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine

5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine (PubChem CID 103176807) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine
PubChem CID103176807
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine
SMILESCOCCCOCCOc1ccc2scnc2c1N
InChIInChI=1S/C13H18N2O3S/c1-16-5-2-6-17-7-8-18-10-3-4-11-13(12(10)14)15-9-19-11/h3-4,9H,2,5-8,14H2,1H3
InChIKeyFYHLRKYNIORBQE-UHFFFAOYSA-N
XLogP2.31
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzothiazol-4-amine
CID 112587112
5-N-(3-methoxypropyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 55141849
5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
CID 43451511
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
CID 64744714
3-bromo-8-[2-(3-methoxypropoxy)ethoxy]-1,5-naphthyridine
CID 103179363

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine (CID 103176807) is 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine is COCCCOCCOc1ccc2scnc2c1N.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine?
The InChIKey is FYHLRKYNIORBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-16-5-2-6-17-7-8-18-10-3-4-11-13(12(10)14)15-9-19-11/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine?
5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine has a molecular weight of 282.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 103176807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).