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

C12H14N2S — CID 3799257

IUPAC2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)cs2)cc1
InChIInChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3
InChIKeyTZGZKCXQYRXQER-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.62
Rot. Bonds3

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

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 3799257) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID3799257
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)cs2)cc1
InChIInChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3
InChIKeyTZGZKCXQYRXQER-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 130512401
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115531309

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine (CID 3799257) is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine is Cc1ccc(-c2nc(CCN)cs2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is TZGZKCXQYRXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 218.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 3799257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).