5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

C15H20N2OS — CID 79774113

IUPAC5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2cccc(CC)c2)s1
InChIInChI=1S/C15H20N2OS/c1-3-8-16-15-17-10-14(19-15)11-18-13-7-5-6-12(4-2)9-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,16,17)
InChIKeyPMIDKOYFJUOYPI-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.11
Rot. Bonds7

About 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774113) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774113
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2cccc(CC)c2)s1
InChIInChI=1S/C15H20N2OS/c1-3-8-16-15-17-10-14(19-15)11-18-13-7-5-6-12(4-2)9-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,16,17)
InChIKeyPMIDKOYFJUOYPI-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422876
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774113) is 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2cccc(CC)c2)s1.
What is the InChIKey of 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is PMIDKOYFJUOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-8-16-15-17-10-14(19-15)11-18-13-7-5-6-12(4-2)9-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).