2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine

C17H24N2OS — CID 82428956

IUPAC2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(COc2ccc(C)cc2C)sc1C(C)(C)N
InChIInChI=1S/C17H24N2OS/c1-6-13-16(17(4,5)18)21-15(19-13)10-20-14-8-7-11(2)9-12(14)3/h7-9H,6,10,18H2,1-5H3
InChIKeyGITIJSZKKUBWKX-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.10
Rot. Bonds5

About 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82428956) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82428956
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(COc2ccc(C)cc2C)sc1C(C)(C)N
InChIInChI=1S/C17H24N2OS/c1-6-13-16(17(4,5)18)21-15(19-13)10-20-14-8-7-11(2)9-12(14)3/h7-9H,6,10,18H2,1-5H3
InChIKeyGITIJSZKKUBWKX-UHFFFAOYSA-N
XLogP4.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 82426105
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82428952
[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82438725
2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429808
2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82440536
2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82428618
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 39099853
[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine (CID 82428956) is 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(COc2ccc(C)cc2C)sc1C(C)(C)N.
What is the InChIKey of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is GITIJSZKKUBWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-13-16(17(4,5)18)21-15(19-13)10-20-14-8-7-11(2)9-12(14)3/h7-9H,6,10,18H2,1-5H3.
What are the key properties of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82428956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).