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

C16H15N3O3S — CID 13171497

IUPAC2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1cc(-c2nnc(-c3ccncc3)s2)cc(OC)c1OC
InChIInChI=1S/C16H15N3O3S/c1-20-12-8-11(9-13(21-2)14(12)22-3)16-19-18-15(23-16)10-4-6-17-7-5-10/h4-9H,1-3H3
InChIKeyXQQQAKXJIHRQHQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.29
Rot. Bonds5

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

2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole (PubChem CID 13171497) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
PubChem CID13171497
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1cc(-c2nnc(-c3ccncc3)s2)cc(OC)c1OC
InChIInChI=1S/C16H15N3O3S/c1-20-12-8-11(9-13(21-2)14(12)22-3)16-19-18-15(23-16)10-4-6-17-7-5-10/h4-9H,1-3H3
InChIKeyXQQQAKXJIHRQHQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665983
2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 141261492
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
2-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 141080417
7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
CID 162674614
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole (CID 13171497) is 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole is COc1cc(-c2nnc(-c3ccncc3)s2)cc(OC)c1OC.
What is the InChIKey of 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is XQQQAKXJIHRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-20-12-8-11(9-13(21-2)14(12)22-3)16-19-18-15(23-16)10-4-6-17-7-5-10/h4-9H,1-3H3.
What are the key properties of 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole?
2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 329.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 13171497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).