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

C17H23NO2S — CID 115822987

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)Cc2nc(C(C)(C)C)cs2)ccc1C
InChIInChI=1S/C17H23NO2S/c1-11-6-7-12(8-14(11)20-5)13(19)9-16-18-15(10-21-16)17(2,3)4/h6-8,10,13,19H,9H2,1-5H3
InChIKeyMDMUSKUSUFDXJF-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.03
Rot. Bonds4

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol (PubChem CID 115822987) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
PubChem CID115822987
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)Cc2nc(C(C)(C)C)cs2)ccc1C
InChIInChI=1S/C17H23NO2S/c1-11-6-7-12(8-14(11)20-5)13(19)9-16-18-15(10-21-16)17(2,3)4/h6-8,10,13,19H,9H2,1-5H3
InChIKeyMDMUSKUSUFDXJF-UHFFFAOYSA-N
XLogP4.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
CID 79819548
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066380
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-(5-methyl-3-pyridinyl)ethanol
CID 105115618
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79820653
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol (CID 115822987) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol is COc1cc(C(O)Cc2nc(C(C)(C)C)cs2)ccc1C.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
The InChIKey is MDMUSKUSUFDXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-11-6-7-12(8-14(11)20-5)13(19)9-16-18-15(10-21-16)17(2,3)4/h6-8,10,13,19H,9H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol has a molecular weight of 305.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 115822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).