N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

C19H24N4O2S — CID 46995291

IUPACN-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOc1cccc(CN(C)C(C)c2nccs2)c1OCCn1ccnc1
InChIInChI=1S/C19H24N4O2S/c1-15(19-21-8-12-26-19)22(2)13-16-5-4-6-17(24-3)18(16)25-11-10-23-9-7-20-14-23/h4-9,12,14-15H,10-11,13H2,1-3H3
InChIKeyFTSYQVFFVKRTJL-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.62
Rot. Bonds9

About N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 46995291) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID46995291
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOc1cccc(CN(C)C(C)c2nccs2)c1OCCn1ccnc1
InChIInChI=1S/C19H24N4O2S/c1-15(19-21-8-12-26-19)22(2)13-16-5-4-6-17(24-3)18(16)25-11-10-23-9-7-20-14-23/h4-9,12,14-15H,10-11,13H2,1-3H3
InChIKeyFTSYQVFFVKRTJL-UHFFFAOYSA-N
XLogP3.62
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (CID 46995291) is N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is COc1cccc(CN(C)C(C)c2nccs2)c1OCCn1ccnc1.
What is the InChIKey of N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is FTSYQVFFVKRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-15(19-21-8-12-26-19)22(2)13-16-5-4-6-17(24-3)18(16)25-11-10-23-9-7-20-14-23/h4-9,12,14-15H,10-11,13H2,1-3H3.
What are the key properties of N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 372.49 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 46995291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).