1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride

C13H17ClN2O2S — CID 120580478

IUPAC1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2csc(C(C)N)n2)c(OC)c1.Cl
InChIInChI=1S/C13H16N2O2S.ClH/c1-8(14)13-15-11(7-18-13)10-5-4-9(16-2)6-12(10)17-3;/h4-8H,14H2,1-3H3;1H
InChIKeyLVHNJUJYFLGXRL-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride

1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride (PubChem CID 120580478) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
PubChem CID120580478
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2csc(C(C)N)n2)c(OC)c1.Cl
InChIInChI=1S/C13H16N2O2S.ClH/c1-8(14)13-15-11(7-18-13)10-5-4-9(16-2)6-12(10)17-3;/h4-8H,14H2,1-3H3;1H
InChIKeyLVHNJUJYFLGXRL-UHFFFAOYSA-N
XLogP3.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]azanide
CID 161351760
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068
4-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole;N,2-dimethylpropanamide
CID 162733084
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole
CID 60529099
4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 116867670
1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5020525

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride (CID 120580478) is 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride is COc1ccc(-c2csc(C(C)N)n2)c(OC)c1.Cl.
What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is LVHNJUJYFLGXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S.ClH/c1-8(14)13-15-11(7-18-13)10-5-4-9(16-2)6-12(10)17-3;/h4-8H,14H2,1-3H3;1H.
What are the key properties of 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120580478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).