2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide

C18H20N4O2S2 — CID 20939182

About 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide

2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide (PubChem CID 20939182) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide
• PubChem CID: 20939182
• Molecular Formula: C18H20N4O2S2
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.10
• IUPAC Name: 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide
• SMILES: Cc1nn2c(=O)cc(CSc3ccccc3NC(=O)C(C)(C)C)nc2s1
• InChI: InChI=1S/C18H20N4O2S2/c1-11-21-22-15(23)9-12(19-17(22)26-11)10-25-14-8-6-5-7-13(14)20-16(24)18(2,3)4/h5-9H,10H2,1-4H3,(H,20,24)
• InChIKey: ZVJZDTISNFRYKJ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide (CID 20939182) is 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide is Cc1nn2c(=O)cc(CSc3ccccc3NC(=O)C(C)(C)C)nc2s1.

What is the InChIKey of 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide?

The InChIKey is ZVJZDTISNFRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-11-21-22-15(23)9-12(19-17(22)26-11)10-25-14-8-6-5-7-13(14)20-16(24)18(2,3)4/h5-9H,10H2,1-4H3,(H,20,24).

What are the key properties of 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide?

2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide has a molecular weight of 388.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide is sourced from PubChem (CID 20939182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).