2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine

C16H22N2OS — CID 82066802

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCc1nc(CC(N)c2ccc(OC(C)C)cc2)sc1C
InChIInChI=1S/C16H22N2OS/c1-10(2)19-14-7-5-13(6-8-14)15(17)9-16-18-11(3)12(4)20-16/h5-8,10,15H,9,17H2,1-4H3
InChIKeyXXJHURREISLUKY-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.79
Rot. Bonds5

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 82066802) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID82066802
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCc1nc(CC(N)c2ccc(OC(C)C)cc2)sc1C
InChIInChI=1S/C16H22N2OS/c1-10(2)19-14-7-5-13(6-8-14)15(17)9-16-18-11(3)12(4)20-16/h5-8,10,15H,9,17H2,1-4H3
InChIKeyXXJHURREISLUKY-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine
CID 82066801
1-(4-bromo-3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019849
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106927882
2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62389400
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019746
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 82066802) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine is Cc1nc(CC(N)c2ccc(OC(C)C)cc2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is XXJHURREISLUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(2)19-14-7-5-13(6-8-14)15(17)9-16-18-11(3)12(4)20-16/h5-8,10,15H,9,17H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 82066802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).