2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine

C14H19N3OS — CID 55173608

IUPAC2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine
SMILESCN1CCCC1CCOc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-17-7-2-3-11(17)6-8-18-14-16-12-5-4-10(15)9-13(12)19-14/h4-5,9,11H,2-3,6-8,15H2,1H3
InChIKeyOLMZKXQALJLWIR-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine

2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine (PubChem CID 55173608) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine
PubChem CID55173608
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine
SMILESCN1CCCC1CCOc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-17-7-2-3-11(17)6-8-18-14-16-12-5-4-10(15)9-13(12)19-14/h4-5,9,11H,2-3,6-8,15H2,1H3
InChIKeyOLMZKXQALJLWIR-UHFFFAOYSA-N
XLogP2.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine
CID 65472254
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinazolin-6-amine
CID 64588529
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
2-(oxolan-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 55176125
2-(oxan-4-ylmethoxy)-1,3-benzothiazol-6-amine
CID 63229167
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine
CID 64745304
2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
CID 63231116
5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile
CID 61100632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine (CID 55173608) is 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine is CN1CCCC1CCOc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine?
The InChIKey is OLMZKXQALJLWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17-7-2-3-11(17)6-8-18-14-16-12-5-4-10(15)9-13(12)19-14/h4-5,9,11H,2-3,6-8,15H2,1H3.
What are the key properties of 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine?
2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine has a molecular weight of 277.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 55173608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).