N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine

C20H23N3O2S — CID 126792532

IUPACN-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCOc1ccc(OCc2nc(CN(C)C(C)c3cccnc3)cs2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15(16-5-4-10-21-11-16)23(2)12-17-14-26-20(22-17)13-25-19-8-6-18(24-3)7-9-19/h4-11,14-15H,12-13H2,1-3H3
InChIKeyWPLXRIOICKJYSJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.32
Rot. Bonds8

About N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine

N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 126792532) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine
PubChem CID126792532
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCOc1ccc(OCc2nc(CN(C)C(C)c3cccnc3)cs2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15(16-5-4-10-21-11-16)23(2)12-17-14-26-20(22-17)13-25-19-8-6-18(24-3)7-9-19/h4-11,14-15H,12-13H2,1-3H3
InChIKeyWPLXRIOICKJYSJ-UHFFFAOYSA-N
XLogP4.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 126795417
2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole
CID 167902967
4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 46009805
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
N-[(2R)-butan-2-yl]-4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 93166037
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-propan-2-yl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342044
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 93165988
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pentan-3-amine
CID 119113948
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008327
4-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78817551

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine (CID 126792532) is N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine is COc1ccc(OCc2nc(CN(C)C(C)c3cccnc3)cs2)cc1.
What is the InChIKey of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is WPLXRIOICKJYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15(16-5-4-10-21-11-16)23(2)12-17-14-26-20(22-17)13-25-19-8-6-18(24-3)7-9-19/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 369.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 126792532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).