2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole

C16H10N6S — CID 58416023

IUPAC2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole
SMILESc1cnc(-c2cccc(-c3nnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C16H10N6S/c1-5-12(14-18-8-3-9-19-14)20-13(6-1)16-22-21-15(23-16)11-4-2-7-17-10-11/h1-10H
InChIKeyNDOGBSGUSZEWHG-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.12
Rot. Bonds3

About 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole

2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole (PubChem CID 58416023) has the molecular formula C16H10N6S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole
PubChem CID58416023
Molecular FormulaC16H10N6S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole
SMILESc1cnc(-c2cccc(-c3nnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C16H10N6S/c1-5-12(14-18-8-3-9-19-14)20-13(6-1)16-22-21-15(23-16)11-4-2-7-17-10-11/h1-10H
InChIKeyNDOGBSGUSZEWHG-UHFFFAOYSA-N
XLogP3.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

TH1020
CID 124203921
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
3-((Pyridin-2-ylmethyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194852
3-((Pyridin-3-ylmethyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194854
6-Phenyl-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932337
3-(Pyridin-2-yl)-6-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 17591943
3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridazine
CID 10470703
2-[5-[(4-Iodophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine
CID 71516215
4-(2-Methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74766967
1-(2-Piperidin-1-ylethyl)-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidine
CID 74767131
4-(6-Methyl-2-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767209
1-(2-Piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine
CID 90146246

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole (CID 58416023) is 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole is c1cnc(-c2cccc(-c3nnc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is NDOGBSGUSZEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S/c1-5-12(14-18-8-3-9-19-14)20-13(6-1)16-22-21-15(23-16)11-4-2-7-17-10-11/h1-10H.
What are the key properties of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole?
2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 318.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 58416023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).