1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine

C12H14N2OS — CID 79020836

IUPAC1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCOc1cccc(C(N)Cc2nccs2)c1
InChIInChI=1S/C12H14N2OS/c1-15-10-4-2-3-9(7-10)11(13)8-12-14-5-6-16-12/h2-7,11H,8,13H2,1H3
InChIKeyJVBJSLIHSMQRDH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79020836) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID79020836
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCOc1cccc(C(N)Cc2nccs2)c1
InChIInChI=1S/C12H14N2OS/c1-15-10-4-2-3-9(7-10)11(13)8-12-14-5-6-16-12/h2-7,11H,8,13H2,1H3
InChIKeyJVBJSLIHSMQRDH-UHFFFAOYSA-N
XLogP2.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015051
1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015145
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650593
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 79020836) is 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine is COc1cccc(C(N)Cc2nccs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is JVBJSLIHSMQRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-15-10-4-2-3-9(7-10)11(13)8-12-14-5-6-16-12/h2-7,11H,8,13H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79020836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).