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

C12H16Cl2N2OS — CID 71779216

IUPAC2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
SMILESCOc1ccc(-c2nc(CCN)cs2)cc1.Cl.Cl
InChIInChI=1S/C12H14N2OS.2ClH/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12;;/h2-5,8H,6-7,13H2,1H3;2*1H
InChIKeyIUQMZSIAUCJFDZ-UHFFFAOYSA-N
MW307.25 g/mol
LogP3.16
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride (PubChem CID 71779216) has the molecular formula C12H16Cl2N2OS and a molecular weight of 307.25 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
PubChem CID71779216
Molecular FormulaC12H16Cl2N2OS
Molecular Weight307.25 g/mol
Exact Mass306.04
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
SMILESCOc1ccc(-c2nc(CCN)cs2)cc1.Cl.Cl
InChIInChI=1S/C12H14N2OS.2ClH/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12;;/h2-5,8H,6-7,13H2,1H3;2*1H
InChIKeyIUQMZSIAUCJFDZ-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride (CID 71779216) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride is COc1ccc(-c2nc(CCN)cs2)cc1.Cl.Cl.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride?
The InChIKey is IUQMZSIAUCJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.2ClH/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12;;/h2-5,8H,6-7,13H2,1H3;2*1H.
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride?
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride has a molecular weight of 307.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 71779216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).