[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol

C13H15NO2S — CID 117098962

IUPAC[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCOc1ccccc1Cc1nc(CO)c(C)s1
InChIInChI=1S/C13H15NO2S/c1-9-11(8-15)14-13(17-9)7-10-5-3-4-6-12(10)16-2/h3-6,15H,7-8H2,1-2H3
InChIKeyYUPLQWAFPTXEFF-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.54
Rot. Bonds4

About [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol

[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol (PubChem CID 117098962) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
PubChem CID117098962
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCOc1ccccc1Cc1nc(CO)c(C)s1
InChIInChI=1S/C13H15NO2S/c1-9-11(8-15)14-13(17-9)7-10-5-3-4-6-12(10)16-2/h3-6,15H,7-8H2,1-2H3
InChIKeyYUPLQWAFPTXEFF-UHFFFAOYSA-N
XLogP2.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 157374946
4-butyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227157
(E)-3-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82428418
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
[4-[(2-methoxyphenyl)methyl]phenyl]methanol
CID 54205335
2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115089285
2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62089905
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82425710

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol (CID 117098962) is [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol is COc1ccccc1Cc1nc(CO)c(C)s1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol?
The InChIKey is YUPLQWAFPTXEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-11(8-15)14-13(17-9)7-10-5-3-4-6-12(10)16-2/h3-6,15H,7-8H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol?
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 117098962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).