7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C24H24N6O4S2 — CID 135482566

About 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135482566) has the molecular formula C24H24N6O4S2 and a molecular weight of 524.63 g/mol. Its IUPAC name is 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 135482566
• Molecular Formula: C24H24N6O4S2
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.13
• IUPAC Name: 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCCc1nn2c(=O)c(C(c3ccc(C)cc3)c3c(O)nc4sc(CCC)nn4c3=O)c(O)nc2s1
• InChI: InChI=1S/C24H24N6O4S2/c1-4-6-14-27-29-21(33)17(19(31)25-23(29)35-14)16(13-10-8-12(3)9-11-13)18-20(32)26-24-30(22(18)34)28-15(36-24)7-5-2/h8-11,16,31-32H,4-7H2,1-3H3
• InChIKey: ZPSLSYLDYHRCSV-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 134.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 135482566) is 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1nn2c(=O)c(C(c3ccc(C)cc3)c3c(O)nc4sc(CCC)nn4c3=O)c(O)nc2s1.

What is the InChIKey of 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is ZPSLSYLDYHRCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S2/c1-4-6-14-27-29-21(33)17(19(31)25-23(29)35-14)16(13-10-8-12(3)9-11-13)18-20(32)26-24-30(22(18)34)28-15(36-24)7-5-2/h8-11,16,31-32H,4-7H2,1-3H3.

What are the key properties of 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 524.63 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-6-[(7-hydroxy-5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135482566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).