N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine

C16H22N2OS — CID 79007841

IUPACN-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(Cc1ccccc1)(NCCOC)c1nccs1
InChIInChI=1S/C16H22N2OS/c1-3-16(18-9-11-19-2,15-17-10-12-20-15)13-14-7-5-4-6-8-14/h4-8,10,12,18H,3,9,11,13H2,1-2H3
InChIKeyGZQAUYFNTZHTKB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.23
Rot. Bonds8

About N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine

N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79007841) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID79007841
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(Cc1ccccc1)(NCCOC)c1nccs1
InChIInChI=1S/C16H22N2OS/c1-3-16(18-9-11-19-2,15-17-10-12-20-15)13-14-7-5-4-6-8-14/h4-8,10,12,18H,3,9,11,13H2,1-2H3
InChIKeyGZQAUYFNTZHTKB-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.23
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-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine (CID 79007841) is N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine is CCC(Cc1ccccc1)(NCCOC)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is GZQAUYFNTZHTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-16(18-9-11-19-2,15-17-10-12-20-15)13-14-7-5-4-6-8-14/h4-8,10,12,18H,3,9,11,13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine?
N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79007841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).