2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol

C13H15NO2S — CID 115091474

IUPAC2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
SMILESCC(O)Cc1cnc(Cc2ccccc2O)s1
InChIInChI=1S/C13H15NO2S/c1-9(15)6-11-8-14-13(17-11)7-10-4-2-3-5-12(10)16/h2-5,8-9,15-16H,6-7H2,1H3
InChIKeyHSYAEXSPZRWNAH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.36
Rot. Bonds4

About 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol

2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol (PubChem CID 115091474) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
PubChem CID115091474
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
SMILESCC(O)Cc1cnc(Cc2ccccc2O)s1
InChIInChI=1S/C13H15NO2S/c1-9(15)6-11-8-14-13(17-11)7-10-4-2-3-5-12(10)16/h2-5,8-9,15-16H,6-7H2,1H3
InChIKeyHSYAEXSPZRWNAH-UHFFFAOYSA-N
XLogP2.36
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091580
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
2-[[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115086774
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083902
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62830366
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091635
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol?
The IUPAC name of 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol (CID 115091474) is 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol?
The canonical SMILES for 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol is CC(O)Cc1cnc(Cc2ccccc2O)s1.
What is the InChIKey of 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol?
The InChIKey is HSYAEXSPZRWNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9(15)6-11-8-14-13(17-11)7-10-4-2-3-5-12(10)16/h2-5,8-9,15-16H,6-7H2,1H3.
What are the key properties of 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol?
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol has a molecular weight of 249.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol is sourced from PubChem (CID 115091474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).