2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine

C16H22N2OS — CID 62900725

IUPAC2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCCCOCCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-2-3-10-19-11-9-17-12-16-18-15(13-20-16)14-7-5-4-6-8-14/h4-8,13,17H,2-3,9-12H2,1H3
InChIKeyMZCYBVJXDCECDY-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.72
Rot. Bonds9

About 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine

2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62900725) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62900725
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCCCOCCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-2-3-10-19-11-9-17-12-16-18-15(13-20-16)14-7-5-4-6-8-14/h4-8,13,17H,2-3,9-12H2,1H3
InChIKeyMZCYBVJXDCECDY-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.72
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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Related Compounds

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
1-(3-butoxypropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111240924
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
1-(3-ethoxypropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111225160
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702011

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 62900725) is 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is CCCCOCCNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is MZCYBVJXDCECDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-3-10-19-11-9-17-12-16-18-15(13-20-16)14-7-5-4-6-8-14/h4-8,13,17H,2-3,9-12H2,1H3.
What are the key properties of 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62900725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).