1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine

C16H22N2OS — CID 82430113

IUPAC1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCCOc1ccc(-c2nc(CC)c(C(C)N)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-10-19-13-8-6-12(7-9-13)16-18-14(5-2)15(20-16)11(3)17/h6-9,11H,4-5,10,17H2,1-3H3
InChIKeyUALUPHZXLKHZIV-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.18
Rot. Bonds6

About 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine

1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82430113) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82430113
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCCOc1ccc(-c2nc(CC)c(C(C)N)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-10-19-13-8-6-12(7-9-13)16-18-14(5-2)15(20-16)11(3)17/h6-9,11H,4-5,10,17H2,1-3H3
InChIKeyUALUPHZXLKHZIV-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430111
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713
1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82431765
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82430088

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine (CID 82430113) is 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine is CCCOc1ccc(-c2nc(CC)c(C(C)N)s2)cc1.
What is the InChIKey of 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UALUPHZXLKHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-10-19-13-8-6-12(7-9-13)16-18-14(5-2)15(20-16)11(3)17/h6-9,11H,4-5,10,17H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82430113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).