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

C13H16N2O2S — CID 105030712

IUPAC1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCOc1cc(OC)cc(C(N)Cc2cncs2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-10-3-9(4-11(5-10)17-2)13(14)6-12-7-15-8-18-12/h3-5,7-8,13H,6,14H2,1-2H3
InChIKeyQBRYKUIYWDJDEH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.40
Rot. Bonds5

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

1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030712) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030712
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCOc1cc(OC)cc(C(N)Cc2cncs2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-10-3-9(4-11(5-10)17-2)13(14)6-12-7-15-8-18-12/h3-5,7-8,13H,6,14H2,1-2H3
InChIKeyQBRYKUIYWDJDEH-UHFFFAOYSA-N
XLogP2.40
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642679
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105030569
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131042710
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030714
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105030712) is 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine is COc1cc(OC)cc(C(N)Cc2cncs2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is QBRYKUIYWDJDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-10-3-9(4-11(5-10)17-2)13(14)6-12-7-15-8-18-12/h3-5,7-8,13H,6,14H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 264.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).