N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine

C15H20N2OS — CID 114783183

IUPACN-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
SMILESCCc1csc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C15H20N2OS/c1-2-14-12-19-15(17-14)18-10-6-9-16-11-13-7-4-3-5-8-13/h3-5,7-8,12,16H,2,6,9-11H2,1H3
InChIKeyLIUVDMMGEPEYGD-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.26
Rot. Bonds8

About N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine

N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine (PubChem CID 114783183) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
PubChem CID114783183
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
SMILESCCc1csc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C15H20N2OS/c1-2-14-12-19-15(17-14)18-10-6-9-16-11-13-7-4-3-5-8-13/h3-5,7-8,12,16H,2,6,9-11H2,1H3
InChIKeyLIUVDMMGEPEYGD-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.26
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-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783127
N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
CID 114783134
N-benzyl-3-(1,3,4-thiadiazol-2-yloxy)propan-1-amine
CID 114783212
N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
CID 114783181
N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
CID 131072397
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
N-benzyl-3-[(5-nitro-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 102771888
azane;N-benzylbutan-1-amine
CID 175388745
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine (CID 114783183) is N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine is CCc1csc(OCCCNCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
The InChIKey is LIUVDMMGEPEYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-14-12-19-15(17-14)18-10-6-9-16-11-13-7-4-3-5-8-13/h3-5,7-8,12,16H,2,6,9-11H2,1H3.
What are the key properties of N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 114783183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).