N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine

C17H24N2OS — CID 79782932

IUPACN-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(-c2ccccc2)c(CCNCCOC)s1
InChIInChI=1S/C17H24N2OS/c1-3-7-16-19-17(14-8-5-4-6-9-14)15(21-16)10-11-18-12-13-20-2/h4-6,8-9,18H,3,7,10-13H2,1-2H3
InChIKeyFYHVKWNOXJBHPH-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.54
Rot. Bonds9

About N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine

N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 79782932) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
PubChem CID79782932
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(-c2ccccc2)c(CCNCCOC)s1
InChIInChI=1S/C17H24N2OS/c1-3-7-16-19-17(14-8-5-4-6-9-14)15(21-16)10-11-18-12-13-20-2/h4-6,8-9,18H,3,7,10-13H2,1-2H3
InChIKeyFYHVKWNOXJBHPH-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.54
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)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine (CID 79782932) is N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine is CCCc1nc(-c2ccccc2)c(CCNCCOC)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FYHVKWNOXJBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-7-16-19-17(14-8-5-4-6-9-14)15(21-16)10-11-18-12-13-20-2/h4-6,8-9,18H,3,7,10-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine?
N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 79782932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).