4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine

C18H10N6OS — CID 123528594

IUPAC4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
SMILESc1cnc(-c2cc3occc3c(-c3nnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C18H10N6OS/c1-3-11(10-19-5-1)17-23-24-18(26-17)15-12-4-8-25-14(12)9-13(22-15)16-20-6-2-7-21-16/h1-10H
InChIKeyKBNGROCIBIMGJN-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.87
Rot. Bonds3

About 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine

4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine (PubChem CID 123528594) has the molecular formula C18H10N6OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
PubChem CID123528594
Molecular FormulaC18H10N6OS
Molecular Weight358.39 g/mol
Exact Mass358.06
IUPAC Name4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
SMILESc1cnc(-c2cc3occc3c(-c3nnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C18H10N6OS/c1-3-11(10-19-5-1)17-23-24-18(26-17)15-12-4-8-25-14(12)9-13(22-15)16-20-6-2-7-21-16/h1-10H
InChIKeyKBNGROCIBIMGJN-UHFFFAOYSA-N
XLogP3.87
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine with MolForge

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Related Compounds

4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
CID 123918244
6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123262037
6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyridin-2-ylfuro[3,2-c]pyridine
CID 123255086
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
CID 167901241
9-(2-pyridin-3-ylpyrimidin-5-yl)furo[2,3-b]carbazole
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2-pyridin-3-yl-1,3,4-thiadiazole
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9-methyl-13-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-8λ6-thia-3,5,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene 8,8-dioxide
CID 75202679
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine?
The IUPAC name of 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine (CID 123528594) is 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine.
What is the SMILES notation for 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine?
The canonical SMILES for 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine is c1cnc(-c2cc3occc3c(-c3nnc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine?
The InChIKey is KBNGROCIBIMGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6OS/c1-3-11(10-19-5-1)17-23-24-18(26-17)15-12-4-8-25-14(12)9-13(22-15)16-20-6-2-7-21-16/h1-10H.
What are the key properties of 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine?
4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine has a molecular weight of 358.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine is sourced from PubChem (CID 123528594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).