2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol

C15H19NO2S — CID 62799330

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCc1nc(CC(O)c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C15H19NO2S/c1-10(2)18-14-6-4-12(5-7-14)15(17)8-13-9-19-11(3)16-13/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyLIYBYOQFWKJIJU-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.51
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol

2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 62799330) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID62799330
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCc1nc(CC(O)c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C15H19NO2S/c1-10(2)18-14-6-4-12(5-7-14)15(17)8-13-9-19-11(3)16-13/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyLIYBYOQFWKJIJU-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 62799661
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 104801686
1-(4-propan-2-yloxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111422217
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol (CID 62799330) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol is Cc1nc(CC(O)c2ccc(OC(C)C)cc2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is LIYBYOQFWKJIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10(2)18-14-6-4-12(5-7-14)15(17)8-13-9-19-11(3)16-13/h4-7,9-10,15,17H,8H2,1-3H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 277.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 62799330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).