2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol

C11H11NO2S — CID 116889737

IUPAC2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(-c2nc(O)cs2)cc1C
InChIInChI=1S/C11H11NO2S/c1-7-5-8(3-4-9(7)14-2)11-12-10(13)6-15-11/h3-6,13H,1-2H3
InChIKeyUBGPRHRCSIMXOU-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.83
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol

2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol (PubChem CID 116889737) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
PubChem CID116889737
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(-c2nc(O)cs2)cc1C
InChIInChI=1S/C11H11NO2S/c1-7-5-8(3-4-9(7)14-2)11-12-10(13)6-15-11/h3-6,13H,1-2H3
InChIKeyUBGPRHRCSIMXOU-UHFFFAOYSA-N
XLogP2.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
2-chloro-4-(4-methoxy-3-methylphenyl)phenol
CID 53221309
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbothioamide
CID 82515938
[2-(4-methoxy-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887770
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol (CID 116889737) is 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol is COc1ccc(-c2nc(O)cs2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol?
The InChIKey is UBGPRHRCSIMXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-5-8(3-4-9(7)14-2)11-12-10(13)6-15-11/h3-6,13H,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol?
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol has a molecular weight of 221.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).