1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine

C12H14N2OS — CID 112642679

IUPAC1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccccc1C(N)Cc1cncs1
InChIInChI=1S/C12H14N2OS/c1-15-12-5-3-2-4-10(12)11(13)6-9-7-14-8-16-9/h2-5,7-8,11H,6,13H2,1H3
InChIKeyKYFJHJLDGKVVRX-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine

1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112642679) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112642679
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccccc1C(N)Cc1cncs1
InChIInChI=1S/C12H14N2OS/c1-15-12-5-3-2-4-10(12)11(13)6-9-7-14-8-16-9/h2-5,7-8,11H,6,13H2,1H3
InChIKeyKYFJHJLDGKVVRX-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

(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030714
1-(2-methylquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178009
1-(3-methyl-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642901
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
CID 65477894
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 112642679) is 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine is COc1ccccc1C(N)Cc1cncs1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is KYFJHJLDGKVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-15-12-5-3-2-4-10(12)11(13)6-9-7-14-8-16-9/h2-5,7-8,11H,6,13H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(2-methoxyphenyl)-2-(1,3-thiazol-5-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-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112642679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).