1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C12H16N2OS2 — CID 104997024

IUPAC1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1sccc1OC
InChIInChI=1S/C12H16N2OS2/c1-8-14-9(7-17-8)6-10(13-2)12-11(15-3)4-5-16-12/h4-5,7,10,13H,6H2,1-3H3
InChIKeyVYWUFJICCPXWLY-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997024) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997024
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1sccc1OC
InChIInChI=1S/C12H16N2OS2/c1-8-14-9(7-17-8)6-10(13-2)12-11(15-3)4-5-16-12/h4-5,7,10,13H,6H2,1-3H3
InChIKeyVYWUFJICCPXWLY-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
[1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316099
[1-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997024) is 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is VYWUFJICCPXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8-14-9(7-17-8)6-10(13-2)12-11(15-3)4-5-16-12/h4-5,7,10,13H,6H2,1-3H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 268.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).