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

C13H15NO2S — CID 58112081

IUPAC2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1nc(COc2ccc(CCO)cc2)cs1
InChIInChI=1S/C13H15NO2S/c1-10-14-12(9-17-10)8-16-13-4-2-11(3-5-13)6-7-15/h2-5,9,15H,6-8H2,1H3
InChIKeyMDRPYKHDKOIUFL-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.57
Rot. Bonds5

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

2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 58112081) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
PubChem CID58112081
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1nc(COc2ccc(CCO)cc2)cs1
InChIInChI=1S/C13H15NO2S/c1-10-14-12(9-17-10)8-16-13-4-2-11(3-5-13)6-7-15/h2-5,9,15H,6-8H2,1H3
InChIKeyMDRPYKHDKOIUFL-UHFFFAOYSA-N
XLogP2.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
CID 161416225
CID 161416225
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
CID 118975002
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
2-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 103887327
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 110891814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol (CID 58112081) is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol is Cc1nc(COc2ccc(CCO)cc2)cs1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is MDRPYKHDKOIUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10-14-12(9-17-10)8-16-13-4-2-11(3-5-13)6-7-15/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 249.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 58112081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).