2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol

C17H23NO2S — CID 79827482

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cccc(C(O)Cc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C17H23NO2S/c1-17(2,3)15-11-21-16(18-15)9-14(19)13-7-5-6-12(8-13)10-20-4/h5-8,11,14,19H,9-10H2,1-4H3
InChIKeySDZOLFCFQVQEFF-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol (PubChem CID 79827482) 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-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
PubChem CID79827482
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cccc(C(O)Cc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C17H23NO2S/c1-17(2,3)15-11-21-16(18-15)9-14(19)13-7-5-6-12(8-13)10-20-4/h5-8,11,14,19H,9-10H2,1-4H3
InChIKeySDZOLFCFQVQEFF-UHFFFAOYSA-N
XLogP3.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.86
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-chlorophenyl)ethanol
CID 79819548
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 79823661
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
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-(1-methylpyrazol-3-yl)ethanol
CID 79820427
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-(2,4-difluorophenyl)ethanol
CID 79820006

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol (CID 79827482) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol is COCc1cccc(C(O)Cc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol?
The InChIKey is SDZOLFCFQVQEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-17(2,3)15-11-21-16(18-15)9-14(19)13-7-5-6-12(8-13)10-20-4/h5-8,11,14,19H,9-10H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol has a molecular weight of 305.44 g/mol, XLogP of 3.86, 5 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-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 79827482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).