N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine

C15H20N2OS — CID 62542442

IUPACN-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
SMILESCOCCNC(Cc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C15H20N2OS/c1-12-11-19-15(17-12)14(16-8-9-18-2)10-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3
InChIKeyYRKYKDAFXIEQQR-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.97
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine

N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine (PubChem CID 62542442) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
PubChem CID62542442
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
SMILESCOCCNC(Cc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C15H20N2OS/c1-12-11-19-15(17-12)14(16-8-9-18-2)10-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3
InChIKeyYRKYKDAFXIEQQR-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine (CID 62542442) is N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine is COCCNC(Cc1ccccc1)c1nc(C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
The InChIKey is YRKYKDAFXIEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12-11-19-15(17-12)14(16-8-9-18-2)10-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine?
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 62542442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).