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

C16H22N2OS — CID 105019755

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H22N2OS/c1-4-8-19-14-7-5-6-13(9-14)15(17)10-16-18-11(2)12(3)20-16/h5-7,9,15H,4,8,10,17H2,1-3H3
InChIKeyOYJBHWBEXTWSFT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.79
Rot. Bonds6

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine (PubChem CID 105019755) 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-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
PubChem CID105019755
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H22N2OS/c1-4-8-19-14-7-5-6-13(9-14)15(17)10-16-18-11(2)12(3)20-16/h5-7,9,15H,4,8,10,17H2,1-3H3
InChIKeyOYJBHWBEXTWSFT-UHFFFAOYSA-N
XLogP3.79
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 ≤ 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-propoxyphenyl)ethanamine
CID 82066801
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 106866891
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
CID 105023564
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303
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 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine (CID 105019755) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(N)Cc2nc(C)c(C)s2)c1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The InChIKey is OYJBHWBEXTWSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-8-19-14-7-5-6-13(9-14)15(17)10-16-18-11(2)12(3)20-16/h5-7,9,15H,4,8,10,17H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.79, 6 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-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 105019755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).