2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C16H13N5OS2 — CID 133287002

About 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133287002) has the molecular formula C16H13N5OS2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133287002
• Molecular Formula: C16H13N5OS2
• Molecular Weight: 355.45 g/mol
• Exact Mass: 355.06
• IUPAC Name: 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1nc(-c2ccccc2)sc1CNc1nn2c(=O)ccnc2s1
• InChI: InChI=1S/C16H13N5OS2/c1-10-12(23-14(19-10)11-5-3-2-4-6-11)9-18-15-20-21-13(22)7-8-17-16(21)24-15/h2-8H,9H2,1H3,(H,18,20)
• InChIKey: RVEKKHZGNZBEKD-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.45
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133287002) is 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nc(-c2ccccc2)sc1CNc1nn2c(=O)ccnc2s1.

What is the InChIKey of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is RVEKKHZGNZBEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS2/c1-10-12(23-14(19-10)11-5-3-2-4-6-11)9-18-15-20-21-13(22)7-8-17-16(21)24-15/h2-8H,9H2,1H3,(H,18,20).

What are the key properties of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 355.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133287002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).