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

C14H18N2OS — CID 3312423

IUPAC2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(C)cc1-c1csc(CCN)n1
InChIInChI=1S/C14H18N2OS/c1-3-17-13-5-4-10(2)8-11(13)12-9-18-14(16-12)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyWQICGJKXMNAMMI-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.02
Rot. Bonds5

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

2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3312423) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3312423
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(C)cc1-c1csc(CCN)n1
InChIInChI=1S/C14H18N2OS/c1-3-17-13-5-4-10(2)8-11(13)12-9-18-14(16-12)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyWQICGJKXMNAMMI-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3910621
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3312423) is 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine is CCOc1ccc(C)cc1-c1csc(CCN)n1.
What is the InChIKey of 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is WQICGJKXMNAMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-17-13-5-4-10(2)8-11(13)12-9-18-14(16-12)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3312423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).