2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol

C17H23NOS — CID 79820321

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
SMILESCCc1ccccc1C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23NOS/c1-5-12-8-6-7-9-13(12)14(19)10-16-18-15(11-20-16)17(2,3)4/h6-9,11,14,19H,5,10H2,1-4H3
InChIKeySEVYBOJXFHUEJW-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol (PubChem CID 79820321) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
PubChem CID79820321
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
SMILESCCc1ccccc1C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23NOS/c1-5-12-8-6-7-9-13(12)14(19)10-16-18-15(11-20-16)17(2,3)4/h6-9,11,14,19H,5,10H2,1-4H3
InChIKeySEVYBOJXFHUEJW-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129068
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79819805
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanol
CID 65150147
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79820653

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol (CID 79820321) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol is CCc1ccccc1C(O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol?
The InChIKey is SEVYBOJXFHUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-12-8-6-7-9-13(12)14(19)10-16-18-15(11-20-16)17(2,3)4/h6-9,11,14,19H,5,10H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol has a molecular weight of 289.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol is sourced from PubChem (CID 79820321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).