2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine

C14H18N2O3S — CID 22692340

IUPAC2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1cc(-c2nc(CCN)cs2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O3S/c1-17-11-6-9(7-12(18-2)13(11)19-3)14-16-10(4-5-15)8-20-14/h6-8H,4-5,15H2,1-3H3
InChIKeyRXIIWXUIPVZUKC-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 22692340) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID22692340
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1cc(-c2nc(CCN)cs2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O3S/c1-17-11-6-9(7-12(18-2)13(11)19-3)14-16-10(4-5-15)8-20-14/h6-8H,4-5,15H2,1-3H3
InChIKeyRXIIWXUIPVZUKC-UHFFFAOYSA-N
XLogP2.34
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole
CID 10146456
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 142201325
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 81309552
2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine (CID 22692340) is 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine is COc1cc(-c2nc(CCN)cs2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is RXIIWXUIPVZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-17-11-6-9(7-12(18-2)13(11)19-3)14-16-10(4-5-15)8-20-14/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 294.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 22692340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).