2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine

C16H22N2OS — CID 82066819

IUPAC2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCc1nc(CC(N)c2ccc(OC)c(C)c2)sc1C
InChIInChI=1S/C16H22N2OS/c1-5-14-11(3)20-16(18-14)9-13(17)12-6-7-15(19-4)10(2)8-12/h6-8,13H,5,9,17H2,1-4H3
InChIKeyKTRONMVGBPZGEL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine

2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 82066819) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID82066819
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCc1nc(CC(N)c2ccc(OC)c(C)c2)sc1C
InChIInChI=1S/C16H22N2OS/c1-5-14-11(3)20-16(18-14)9-13(17)12-6-7-15(19-4)10(2)8-12/h6-8,13H,5,9,17H2,1-4H3
InChIKeyKTRONMVGBPZGEL-UHFFFAOYSA-N
XLogP3.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 55039474
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115842503
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine (CID 82066819) is 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine is CCc1nc(CC(N)c2ccc(OC)c(C)c2)sc1C.
What is the InChIKey of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is KTRONMVGBPZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-14-11(3)20-16(18-14)9-13(17)12-6-7-15(19-4)10(2)8-12/h6-8,13H,5,9,17H2,1-4H3.
What are the key properties of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine?
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 82066819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).