N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine

C11H19N3OS — CID 62976424

IUPACN-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCOCCNC1(c2nccs2)CCN(C)C1
InChIInChI=1S/C11H19N3OS/c1-14-6-3-11(9-14,13-4-7-15-2)10-12-5-8-16-10/h5,8,13H,3-4,6-7,9H2,1-2H3
InChIKeyVBOVMNSBBYNEDL-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.91
Rot. Bonds5

About N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine

N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 62976424) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID62976424
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCOCCNC1(c2nccs2)CCN(C)C1
InChIInChI=1S/C11H19N3OS/c1-14-6-3-11(9-14,13-4-7-15-2)10-12-5-8-16-10/h5,8,13H,3-4,6-7,9H2,1-2H3
InChIKeyVBOVMNSBBYNEDL-UHFFFAOYSA-N
XLogP0.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 62976424) is N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine is COCCNC1(c2nccs2)CCN(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is VBOVMNSBBYNEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14-6-3-11(9-14,13-4-7-15-2)10-12-5-8-16-10/h5,8,13H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 241.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62976424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).