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

C12H13NO3S — CID 53273851

IUPAC[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(-c2cnc(CO)s2)c(OC)c1
InChIInChI=1S/C12H13NO3S/c1-15-8-3-4-9(10(5-8)16-2)11-6-13-12(7-14)17-11/h3-6,14H,7H2,1-2H3
InChIKeyRMDRLZUTZVDCCD-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.32
Rot. Bonds4

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

[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 53273851) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID53273851
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(-c2cnc(CO)s2)c(OC)c1
InChIInChI=1S/C12H13NO3S/c1-15-8-3-4-9(10(5-8)16-2)11-6-13-12(7-14)17-11/h3-6,14H,7H2,1-2H3
InChIKeyRMDRLZUTZVDCCD-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

N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271892
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53271911
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
CID 175646944
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
5-(2,4-dimethoxyphenyl)-2,4-dimethoxypyrimidine
CID 141069506
5-(5-methoxy-2-methylphenyl)-1,3-thiazol-2-amine
CID 164892281
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol (CID 53273851) is [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol is COc1ccc(-c2cnc(CO)s2)c(OC)c1.
What is the InChIKey of [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is RMDRLZUTZVDCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-8-3-4-9(10(5-8)16-2)11-6-13-12(7-14)17-11/h3-6,14H,7H2,1-2H3.
What are the key properties of [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol?
[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-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 [5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 53273851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).