3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole

C17H16N2O3S — CID 91111160

IUPAC3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1cc(-c2cc(-c3cccnc3)ns2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O3S/c1-20-14-7-12(8-15(21-2)17(14)22-3)16-9-13(19-23-16)11-5-4-6-18-10-11/h4-10H,1-3H3
InChIKeyUMLILDIOCJSZSH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.90
Rot. Bonds5

About 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole

3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole (PubChem CID 91111160) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
PubChem CID91111160
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1cc(-c2cc(-c3cccnc3)ns2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O3S/c1-20-14-7-12(8-15(21-2)17(14)22-3)16-9-13(19-23-16)11-5-4-6-18-10-11/h4-10H,1-3H3
InChIKeyUMLILDIOCJSZSH-UHFFFAOYSA-N
XLogP3.90
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 90771729
5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
CID 136601674
ethyl-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenoxy]phosphinic acid
CID 90769198
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole
CID 91165486
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
CID 91487792
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 5388745
5-bromo-8-methoxy-2-pyridin-3-ylquinoline
CID 18979081
3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
CID 39231339

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The IUPAC name of 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole (CID 91111160) is 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The canonical SMILES for 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole is COc1cc(-c2cc(-c3cccnc3)ns2)cc(OC)c1OC.
What is the InChIKey of 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The InChIKey is UMLILDIOCJSZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-20-14-7-12(8-15(21-2)17(14)22-3)16-9-13(19-23-16)11-5-4-6-18-10-11/h4-10H,1-3H3.
What are the key properties of 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole has a molecular weight of 328.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 91111160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).