1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine

C15H20N2OS — CID 82066849

IUPAC1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2nc(C(C)C)cs2)cc1
InChIInChI=1S/C15H20N2OS/c1-10(2)14-9-19-15(17-14)8-13(16)11-4-6-12(18-3)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3
InChIKeyWENHCHFRWGCFHF-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine

1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82066849) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID82066849
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2nc(C(C)C)cs2)cc1
InChIInChI=1S/C15H20N2OS/c1-10(2)14-9-19-15(17-14)8-13(16)11-4-6-12(18-3)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3
InChIKeyWENHCHFRWGCFHF-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969721
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 82066802

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine (CID 82066849) is 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine is COc1ccc(C(N)Cc2nc(C(C)C)cs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is WENHCHFRWGCFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)14-9-19-15(17-14)8-13(16)11-4-6-12(18-3)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82066849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).