4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol

C17H15NO4S — CID 787560

IUPAC4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1OC
InChIInChI=1S/C17H15NO4S/c1-21-15-6-3-10(7-16(15)22-2)17-18-13(9-23-17)12-5-4-11(19)8-14(12)20/h3-9,19-20H,1-2H3
InChIKeyBZCDDTCIUBUZQN-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.91
Rot. Bonds4

About 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 787560) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID787560
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1OC
InChIInChI=1S/C17H15NO4S/c1-21-15-6-3-10(7-16(15)22-2)17-18-13(9-23-17)12-5-4-11(19)8-14(12)20/h3-9,19-20H,1-2H3
InChIKeyBZCDDTCIUBUZQN-UHFFFAOYSA-N
XLogP3.91
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol (CID 787560) is 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol is COc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is BZCDDTCIUBUZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-21-15-6-3-10(7-16(15)22-2)17-18-13(9-23-17)12-5-4-11(19)8-14(12)20/h3-9,19-20H,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 329.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 787560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).