3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C14H18N2OS — CID 115707940

IUPAC3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCOc1ccccc1)c1cncs1
InChIInChI=1S/C14H18N2OS/c1-12(14-10-15-11-18-14)16-8-5-9-17-13-6-3-2-4-7-13/h2-4,6-7,10-12,16H,5,8-9H2,1H3
InChIKeyTYJLZZUKYTWCON-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.26
Rot. Bonds7

About 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 115707940) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID115707940
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCOc1ccccc1)c1cncs1
InChIInChI=1S/C14H18N2OS/c1-12(14-10-15-11-18-14)16-8-5-9-17-13-6-3-2-4-7-13/h2-4,6-7,10-12,16H,5,8-9H2,1H3
InChIKeyTYJLZZUKYTWCON-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
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

3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103775879
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 115707940) is 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CC(NCCCOc1ccccc1)c1cncs1.
What is the InChIKey of 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is TYJLZZUKYTWCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-12(14-10-15-11-18-14)16-8-5-9-17-13-6-3-2-4-7-13/h2-4,6-7,10-12,16H,5,8-9H2,1H3.
What are the key properties of 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115707940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).