1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine

C14H18N2O2S — CID 82515888

IUPAC1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCOc1cc(-c2nc(C(C)N)cs2)ccc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-18-13-7-10(5-6-12(13)17-3)14-16-11(8-19-14)9(2)15/h5-9H,4,15H2,1-3H3
InChIKeyUIHZBXMWDTXSBC-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine

1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 82515888) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID82515888
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCOc1cc(-c2nc(C(C)N)cs2)ccc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-18-13-7-10(5-6-12(13)17-3)14-16-11(8-19-14)9(2)15/h5-9H,4,15H2,1-3H3
InChIKeyUIHZBXMWDTXSBC-UHFFFAOYSA-N
XLogP3.24
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide
CID 82515896
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545330
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889178
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine (CID 82515888) is 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine is CCOc1cc(-c2nc(C(C)N)cs2)ccc1OC.
What is the InChIKey of 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is UIHZBXMWDTXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-18-13-7-10(5-6-12(13)17-3)14-16-11(8-19-14)9(2)15/h5-9H,4,15H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82515888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).