[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C15H20N2OS — CID 82429739

IUPAC[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOc2cccc(C)c2)sc1CN
InChIInChI=1S/C15H20N2OS/c1-3-13-14(10-16)19-15(17-13)7-8-18-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10,16H2,1-2H3
InChIKeyUQGBXRGOSKPPQG-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.09
Rot. Bonds6

About [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82429739) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82429739
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOc2cccc(C)c2)sc1CN
InChIInChI=1S/C15H20N2OS/c1-3-13-14(10-16)19-15(17-13)7-8-18-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10,16H2,1-2H3
InChIKeyUQGBXRGOSKPPQG-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432489
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441080
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
2-[2-[2-(3-methylphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434784
N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
CID 63383570
N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429699
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 82429739) is [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is CCc1nc(CCOc2cccc(C)c2)sc1CN.
What is the InChIKey of [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is UQGBXRGOSKPPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-13-14(10-16)19-15(17-13)7-8-18-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10,16H2,1-2H3.
What are the key properties of [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82429739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).