N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C15H17N5O2S3 — CID 20961885

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961885) has the molecular formula C15H17N5O2S3 and a molecular weight of 395.54 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• PubChem CID: 20961885
• Molecular Formula: C15H17N5O2S3
• Molecular Weight: 395.54 g/mol
• Exact Mass: 395.05
• IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• SMILES: CCCCc1nnc(NC(=O)CSCc2cc(=O)n3ccsc3n2)s1
• InChI: InChI=1S/C15H17N5O2S3/c1-2-3-4-12-18-19-14(25-12)17-11(21)9-23-8-10-7-13(22)20-5-6-24-15(20)16-10/h5-7H,2-4,8-9H2,1H3,(H,17,19,21)
• InChIKey: SIAVHOMXNVICAC-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.54
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961885) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is CCCCc1nnc(NC(=O)CSCc2cc(=O)n3ccsc3n2)s1.

What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The InChIKey is SIAVHOMXNVICAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S3/c1-2-3-4-12-18-19-14(25-12)17-11(21)9-23-8-10-7-13(22)20-5-6-24-15(20)16-10/h5-7H,2-4,8-9H2,1H3,(H,17,19,21).

What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 395.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).