2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol

C16H22N2OS — CID 82102696

IUPAC2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol
SMILESCc1ccc(-c2nc(CCNCCO)sc2C)c(C)c1
InChIInChI=1S/C16H22N2OS/c1-11-4-5-14(12(2)10-11)16-13(3)20-15(18-16)6-7-17-8-9-19/h4-5,10,17,19H,6-9H2,1-3H3
InChIKeyWOWPLTUGLPUFEX-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol

2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol (PubChem CID 82102696) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol
PubChem CID82102696
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol
SMILESCc1ccc(-c2nc(CCNCCO)sc2C)c(C)c1
InChIInChI=1S/C16H22N2OS/c1-11-4-5-14(12(2)10-11)16-13(3)20-15(18-16)6-7-17-8-9-19/h4-5,10,17,19H,6-9H2,1-3H3
InChIKeyWOWPLTUGLPUFEX-UHFFFAOYSA-N
XLogP2.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163857
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126047012
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034
2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102677
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94700101
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol?
The IUPAC name of 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol (CID 82102696) is 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol?
The canonical SMILES for 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol is Cc1ccc(-c2nc(CCNCCO)sc2C)c(C)c1.
What is the InChIKey of 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol?
The InChIKey is WOWPLTUGLPUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-4-5-14(12(2)10-11)16-13(3)20-15(18-16)6-7-17-8-9-19/h4-5,10,17,19H,6-9H2,1-3H3.
What are the key properties of 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol?
2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol has a molecular weight of 290.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol is sourced from PubChem (CID 82102696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).