N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine

C13H16N2OS — CID 114783181

IUPACN-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
SMILESc1ccc(CNCCCOc2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-5-12(6-3-1)11-14-7-4-9-16-13-15-8-10-17-13/h1-3,5-6,8,10,14H,4,7,9,11H2
InChIKeyZFQAQSOOZLOVPS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.70
Rot. Bonds7

About N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine

N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine (PubChem CID 114783181) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
PubChem CID114783181
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
SMILESc1ccc(CNCCCOc2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-5-12(6-3-1)11-14-7-4-9-16-13-15-8-10-17-13/h1-3,5-6,8,10,14H,4,7,9,11H2
InChIKeyZFQAQSOOZLOVPS-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.70
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-(1,3,4-thiadiazol-2-yloxy)propan-1-amine
CID 114783212
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-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783183
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
N-benzyl-3-[(5-nitro-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 102771888
N-benzyl-3-(5-iodopyrimidin-2-yl)oxypropan-1-amine
CID 114783146
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
methyl 3-[3-(benzylamino)propoxy]propanoate
CID 106940927

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine?
The IUPAC name of N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine (CID 114783181) is N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine?
The canonical SMILES for N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine is c1ccc(CNCCCOc2nccs2)cc1.
What is the InChIKey of N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine?
The InChIKey is ZFQAQSOOZLOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-5-12(6-3-1)11-14-7-4-9-16-13-15-8-10-17-13/h1-3,5-6,8,10,14H,4,7,9,11H2.
What are the key properties of N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine?
N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine is sourced from PubChem (CID 114783181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).