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

C14H18N2O2S — CID 61287396

IUPAC1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(OC)cc(-c2nc(C)c(C(C)N)s2)c1
InChIInChI=1S/C14H18N2O2S/c1-8(15)13-9(2)16-14(19-13)10-5-11(17-3)7-12(6-10)18-4/h5-8H,15H2,1-4H3
InChIKeyJXZHYCZDAUTMBI-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.16
Rot. Bonds4

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

1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 61287396) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID61287396
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cc(OC)cc(-c2nc(C)c(C(C)N)s2)c1
InChIInChI=1S/C14H18N2O2S/c1-8(15)13-9(2)16-14(19-13)10-5-11(17-3)7-12(6-10)18-4/h5-8H,15H2,1-4H3
InChIKeyJXZHYCZDAUTMBI-UHFFFAOYSA-N
XLogP3.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 61287396) is 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COc1cc(OC)cc(-c2nc(C)c(C(C)N)s2)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JXZHYCZDAUTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(15)13-9(2)16-14(19-13)10-5-11(17-3)7-12(6-10)18-4/h5-8H,15H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61287396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).