[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol

C12H13NO2S — CID 82190879

IUPAC[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCc1ccccc1OCc1ncc(CO)s1
InChIInChI=1S/C12H13NO2S/c1-9-4-2-3-5-11(9)15-8-12-13-6-10(7-14)16-12/h2-6,14H,7-8H2,1H3
InChIKeyLODYEDKJVRSSMC-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.52
Rot. Bonds4

About [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol

[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82190879) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82190879
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
SMILESCc1ccccc1OCc1ncc(CO)s1
InChIInChI=1S/C12H13NO2S/c1-9-4-2-3-5-11(9)15-8-12-13-6-10(7-14)16-12/h2-6,14H,7-8H2,1H3
InChIKeyLODYEDKJVRSSMC-UHFFFAOYSA-N
XLogP2.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422739
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422743
2-[(2-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422746
2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82422966
[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190969
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
[2-[(4-chloro-2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82423099
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188220
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol (CID 82190879) is [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol is Cc1ccccc1OCc1ncc(CO)s1.
What is the InChIKey of [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is LODYEDKJVRSSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9-4-2-3-5-11(9)15-8-12-13-6-10(7-14)16-12/h2-6,14H,7-8H2,1H3.
What are the key properties of [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol?
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 235.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82190879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).