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

C17H24N2OS — CID 82429771

IUPAC[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOc2ccc(C(C)C)cc2)sc1CN
InChIInChI=1S/C17H24N2OS/c1-4-15-16(11-18)21-17(19-15)9-10-20-14-7-5-13(6-8-14)12(2)3/h5-8,12H,4,9-11,18H2,1-3H3
InChIKeyJQGMZGZBNIMBGO-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.91
Rot. Bonds7

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

[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82429771) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82429771
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOc2ccc(C(C)C)cc2)sc1CN
InChIInChI=1S/C17H24N2OS/c1-4-15-16(11-18)21-17(19-15)9-10-20-14-7-5-13(6-8-14)12(2)3/h5-8,12H,4,9-11,18H2,1-3H3
InChIKeyJQGMZGZBNIMBGO-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434838
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-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713
2-[2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191095
[2-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434850
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441080
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437189

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 82429771) is [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is CCc1nc(CCOc2ccc(C(C)C)cc2)sc1CN.
What is the InChIKey of [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is JQGMZGZBNIMBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-15-16(11-18)21-17(19-15)9-10-20-14-7-5-13(6-8-14)12(2)3/h5-8,12H,4,9-11,18H2,1-3H3.
What are the key properties of [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82429771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).