2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H23N3OS — CID 62769059

IUPAC2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCC(C)C2)nc1C
InChIInChI=1S/C13H23N3OS/c1-10-4-6-16(9-10)13-15-11(2)12(18-13)8-14-5-7-17-3/h10,14H,4-9H2,1-3H3
InChIKeyVHPHPPYJKFCALX-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.03
Rot. Bonds6

About 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62769059) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62769059
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCC(C)C2)nc1C
InChIInChI=1S/C13H23N3OS/c1-10-4-6-16(9-10)13-15-11(2)12(18-13)8-14-5-7-17-3/h10,14H,4-9H2,1-3H3
InChIKeyVHPHPPYJKFCALX-UHFFFAOYSA-N
XLogP2.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.03
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 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62769059) is 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1sc(N2CCC(C)C2)nc1C.
What is the InChIKey of 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is VHPHPPYJKFCALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-4-6-16(9-10)13-15-11(2)12(18-13)8-14-5-7-17-3/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62769059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).