N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

C13H19N5O3S — CID 18147159

About N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 18147159) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• PubChem CID: 18147159
• Molecular Formula: C13H19N5O3S
• Molecular Weight: 325.39 g/mol
• Exact Mass: 325.12
• IUPAC Name: N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• SMILES: COCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1
• InChI: InChI=1S/C13H19N5O3S/c1-9-7-11(20)18-12(15-9)22-13(16-18)17(2)8-10(19)14-5-4-6-21-3/h7H,4-6,8H2,1-3H3,(H,14,19)
• InChIKey: GTGHXTDCPAWWSO-UHFFFAOYSA-N
• XLogP: 0.05
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.39
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The IUPAC name of N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 18147159) is N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is COCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1.

What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The InChIKey is GTGHXTDCPAWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-9-7-11(20)18-12(15-9)22-13(16-18)17(2)8-10(19)14-5-4-6-21-3/h7H,4-6,8H2,1-3H3,(H,14,19).

What are the key properties of N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 325.39 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 18147159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).