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

C12H13NO3S — CID 39354147

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2nc(CO)cs2)c1
InChIInChI=1S/C12H13NO3S/c1-15-9-3-4-11(16-2)10(5-9)12-13-8(6-14)7-17-12/h3-5,7,14H,6H2,1-2H3
InChIKeyJUKMOMKYFCORRZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.32
Rot. Bonds4

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

[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol (PubChem CID 39354147) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
PubChem CID39354147
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2nc(CO)cs2)c1
InChIInChI=1S/C12H13NO3S/c1-15-9-3-4-11(16-2)10(5-9)12-13-8(6-14)7-17-12/h3-5,7,14H,6H2,1-2H3
InChIKeyJUKMOMKYFCORRZ-UHFFFAOYSA-N
XLogP2.32
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889454
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2,4-dimethoxyphenyl)acetate
CID 43027401
[2-(3-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 90982425
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
CID 116888989
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol (CID 39354147) is [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol is COc1ccc(OC)c(-c2nc(CO)cs2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is JUKMOMKYFCORRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-9-3-4-11(16-2)10(5-9)12-13-8(6-14)7-17-12/h3-5,7,14H,6H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol?
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 251.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 39354147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).