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

C14H25N3O3S — CID 107510835

IUPAC2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCC(OC)C2)nc1COC
InChIInChI=1S/C14H25N3O3S/c1-18-7-5-15-8-13-12(10-19-2)16-14(21-13)17-6-4-11(9-17)20-3/h11,15H,4-10H2,1-3H3
InChIKeyJSCHANWJJDGVIS-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.25
Rot. Bonds9

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

2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107510835) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107510835
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCC(OC)C2)nc1COC
InChIInChI=1S/C14H25N3O3S/c1-18-7-5-15-8-13-12(10-19-2)16-14(21-13)17-6-4-11(9-17)20-3/h11,15H,4-10H2,1-3H3
InChIKeyJSCHANWJJDGVIS-UHFFFAOYSA-N
XLogP1.25
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 107511144
2-methoxy-N-[[4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509555
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107510353
N-[[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62768502
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510551
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510301
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509520
1-[2-(3,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510754
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440823
1-[5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63518702
N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107510717

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107510835) is 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1sc(N2CCC(OC)C2)nc1COC.
What is the InChIKey of 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JSCHANWJJDGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-18-7-5-15-8-13-12(10-19-2)16-14(21-13)17-6-4-11(9-17)20-3/h11,15H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107510835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).