N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine

C19H27N3O3S — CID 4826067

IUPACN-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCCOc1ccc(-c2nc(CNCCN3CCOCC3)cs2)cc1OC
InChIInChI=1S/C19H27N3O3S/c1-3-25-17-5-4-15(12-18(17)23-2)19-21-16(14-26-19)13-20-6-7-22-8-10-24-11-9-22/h4-5,12,14,20H,3,6-11,13H2,1-2H3
InChIKeyQOKSAUHHQBRGPB-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.64
Rot. Bonds9

About N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine

N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 4826067) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID4826067
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCCOc1ccc(-c2nc(CNCCN3CCOCC3)cs2)cc1OC
InChIInChI=1S/C19H27N3O3S/c1-3-25-17-5-4-15(12-18(17)23-2)19-21-16(14-26-19)13-20-6-7-22-8-10-24-11-9-22/h4-5,12,14,20H,3,6-11,13H2,1-2H3
InChIKeyQOKSAUHHQBRGPB-UHFFFAOYSA-N
XLogP2.64
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine (CID 4826067) is N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine is CCOc1ccc(-c2nc(CNCCN3CCOCC3)cs2)cc1OC.
What is the InChIKey of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is QOKSAUHHQBRGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-25-17-5-4-15(12-18(17)23-2)19-21-16(14-26-19)13-20-6-7-22-8-10-24-11-9-22/h4-5,12,14,20H,3,6-11,13H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 377.51 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 4826067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).