[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol

C14H17NO2S — CID 116889050

IUPAC[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
SMILESCOc1c(C)cc(-c2nc(CO)cs2)c(C)c1C
InChIInChI=1S/C14H17NO2S/c1-8-5-12(9(2)10(3)13(8)17-4)14-15-11(6-16)7-18-14/h5,7,16H,6H2,1-4H3
InChIKeyYKGZJCCOPYNACL-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.24
Rot. Bonds3

About [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol

[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol (PubChem CID 116889050) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
PubChem CID116889050
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
SMILESCOc1c(C)cc(-c2nc(CO)cs2)c(C)c1C
InChIInChI=1S/C14H17NO2S/c1-8-5-12(9(2)10(3)13(8)17-4)14-15-11(6-16)7-18-14/h5,7,16H,6H2,1-4H3
InChIKeyYKGZJCCOPYNACL-UHFFFAOYSA-N
XLogP3.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
1-[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868245
[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]methanol
CID 102953130
[2-(3-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 90982425
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol
CID 107916027
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95481161

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol (CID 116889050) is [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol is COc1c(C)cc(-c2nc(CO)cs2)c(C)c1C.
What is the InChIKey of [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is YKGZJCCOPYNACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-8-5-12(9(2)10(3)13(8)17-4)14-15-11(6-16)7-18-14/h5,7,16H,6H2,1-4H3.
What are the key properties of [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol?
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 263.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 116889050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).