4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol

C18H17NO5S — CID 18707352

IUPAC4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESCOc1cc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H17NO5S/c1-22-15-7-11(8-16(23-2)17(15)24-3)18-19-12(9-25-18)10-4-5-13(20)14(21)6-10/h4-9,20-21H,1-3H3
InChIKeyHMGSNIUBMPEAOS-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.91
Rot. Bonds5

About 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol

4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol (PubChem CID 18707352) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
PubChem CID18707352
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESCOc1cc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc(OC)c1OC
InChIInChI=1S/C18H17NO5S/c1-22-15-7-11(8-16(23-2)17(15)24-3)18-19-12(9-25-18)10-4-5-13(20)14(21)6-10/h4-9,20-21H,1-3H3
InChIKeyHMGSNIUBMPEAOS-UHFFFAOYSA-N
XLogP3.91
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 25468910
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol (CID 18707352) is 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol is COc1cc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc(OC)c1OC.
What is the InChIKey of 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
The InChIKey is HMGSNIUBMPEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-22-15-7-11(8-16(23-2)17(15)24-3)18-19-12(9-25-18)10-4-5-13(20)14(21)6-10/h4-9,20-21H,1-3H3.
What are the key properties of 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol?
4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol has a molecular weight of 359.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol is sourced from PubChem (CID 18707352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).