4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole

C19H11N9OS3 — CID 140970518

About 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole

4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole (PubChem CID 140970518) has the molecular formula C19H11N9OS3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole
• PubChem CID: 140970518
• Molecular Formula: C19H11N9OS3
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.02
• IUPAC Name: 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole
• SMILES: c1ccc(C2N=C(c3csnn3)C(c3conn3)=C(c3ccsn3)N2c2nccs2)nc1
• InChI: InChI=1S/C19H11N9OS3/c1-2-5-20-12(3-1)18-22-16(14-10-32-27-24-14)15(13-9-29-26-23-13)17(11-4-7-31-25-11)28(18)19-21-6-8-30-19/h1-10,18H
• InChIKey: JVOXVGMQMCBDAF-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 118.97 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole?

The IUPAC name of 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole (CID 140970518) is 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole.

What is the SMILES notation for 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole?

The canonical SMILES for 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole is c1ccc(C2N=C(c3csnn3)C(c3conn3)=C(c3ccsn3)N2c2nccs2)nc1.

What is the InChIKey of 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole?

The InChIKey is JVOXVGMQMCBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N9OS3/c1-2-5-20-12(3-1)18-22-16(14-10-32-27-24-14)15(13-9-29-26-23-13)17(11-4-7-31-25-11)28(18)19-21-6-8-30-19/h1-10,18H.

What are the key properties of 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole?

4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole has a molecular weight of 477.56 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole is sourced from PubChem (CID 140970518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).