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

C16H21NO2S — CID 103844460

IUPAC2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
SMILESCC(C)(C)c1csc(COc2ccc(CCO)cc2)n1
InChIInChI=1S/C16H21NO2S/c1-16(2,3)14-11-20-15(17-14)10-19-13-6-4-12(5-7-13)8-9-18/h4-7,11,18H,8-10H2,1-3H3
InChIKeyGGKJBHYDIOVUGI-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.55
Rot. Bonds5

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

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 103844460) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
PubChem CID103844460
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
SMILESCC(C)(C)c1csc(COc2ccc(CCO)cc2)n1
InChIInChI=1S/C16H21NO2S/c1-16(2,3)14-11-20-15(17-14)10-19-13-6-4-12(5-7-13)8-9-18/h4-7,11,18H,8-10H2,1-3H3
InChIKeyGGKJBHYDIOVUGI-UHFFFAOYSA-N
XLogP3.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
CID 103816184
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
CID 115956396
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
methyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-5-chlorobenzoate
CID 19611405
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 110891814
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 103520351
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 115687868
1-[4-(2-aminoethyl)phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116577689
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol (CID 103844460) is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol is CC(C)(C)c1csc(COc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is GGKJBHYDIOVUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(2,3)14-11-20-15(17-14)10-19-13-6-4-12(5-7-13)8-9-18/h4-7,11,18H,8-10H2,1-3H3.
What are the key properties of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 291.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 103844460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).