1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine

C15H20N2OS — CID 61484148

IUPAC1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCc1nc(COc2ccccc2C(N)CC)cs1
InChIInChI=1S/C15H20N2OS/c1-3-13(16)12-7-5-6-8-14(12)18-9-11-10-19-15(4-2)17-11/h5-8,10,13H,3-4,9,16H2,1-2H3
InChIKeyVLMXVZSNKDALDN-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 61484148) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID61484148
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCc1nc(COc2ccccc2C(N)CC)cs1
InChIInChI=1S/C15H20N2OS/c1-3-13(16)12-7-5-6-8-14(12)18-9-11-10-19-15(4-2)17-11/h5-8,10,13H,3-4,9,16H2,1-2H3
InChIKeyVLMXVZSNKDALDN-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 63366322
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
CID 104630959
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62459083
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine (CID 61484148) is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine is CCc1nc(COc2ccccc2C(N)CC)cs1.
What is the InChIKey of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is VLMXVZSNKDALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-13(16)12-7-5-6-8-14(12)18-9-11-10-19-15(4-2)17-11/h5-8,10,13H,3-4,9,16H2,1-2H3.
What are the key properties of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 61484148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).