N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine

C15H20N2OS — CID 112640352

IUPACN-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1cncs1
InChIInChI=1S/C15H20N2OS/c1-4-17-12(3)14-7-11(2)5-6-15(14)18-9-13-8-16-10-19-13/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyKQISIBNOHCOYHO-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine

N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 112640352) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID112640352
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1cncs1
InChIInChI=1S/C15H20N2OS/c1-4-17-12(3)14-7-11(2)5-6-15(14)18-9-13-8-16-10-19-13/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyKQISIBNOHCOYHO-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 115978893
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497220
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 43525056
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 63500464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (CID 112640352) is N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is CCNC(C)c1cc(C)ccc1OCc1cncs1.
What is the InChIKey of N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is KQISIBNOHCOYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-17-12(3)14-7-11(2)5-6-15(14)18-9-13-8-16-10-19-13/h5-8,10,12,17H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 112640352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).