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

C14H18N2O3S — CID 64545330

IUPAC1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1cc(OC)c(-c2nc(C(C)N)cs2)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-8(15)10-7-20-14(16-10)9-5-12(18-3)13(19-4)6-11(9)17-2/h5-8H,15H2,1-4H3
InChIKeySMLDXCIPGNQLOG-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.86
Rot. Bonds5

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

1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64545330) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64545330
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1cc(OC)c(-c2nc(C(C)N)cs2)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-8(15)10-7-20-14(16-10)9-5-12(18-3)13(19-4)6-11(9)17-2/h5-8H,15H2,1-4H3
InChIKeySMLDXCIPGNQLOG-UHFFFAOYSA-N
XLogP2.86
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 95377650
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544065
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889178
1-[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 130598698
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 104504761
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine (CID 64545330) is 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine is COc1cc(OC)c(-c2nc(C(C)N)cs2)cc1OC.
What is the InChIKey of 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is SMLDXCIPGNQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8(15)10-7-20-14(16-10)9-5-12(18-3)13(19-4)6-11(9)17-2/h5-8H,15H2,1-4H3.
What are the key properties of 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 294.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64545330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).