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

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

2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 20893157) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name	2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID	20893157
Molecular Formula	C15H23N5O3S
Molecular Weight	353.45 g/mol
Exact Mass	353.15
IUPAC Name	2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILES	Cc1cc(=O)n2nc(N(C)CC(=O)NCCCOC(C)C)sc2n1
InChI	InChI=1S/C15H23N5O3S/c1-10(2)23-7-5-6-16-12(21)9-19(4)15-18-20-13(22)8-11(3)17-14(20)24-15/h8,10H,5-7,9H2,1-4H3,(H,16,21)
InChIKey	CFRJJBDRDFERBM-UHFFFAOYSA-N
XLogP	0.83
TPSA	88.83 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.45
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 20893157) is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

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

The canonical SMILES for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)NCCCOC(C)C)sc2n1.

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

The InChIKey is CFRJJBDRDFERBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-10(2)23-7-5-6-16-12(21)9-19(4)15-18-20-13(22)8-11(3)17-14(20)24-15/h8,10H,5-7,9H2,1-4H3,(H,16,21).

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

2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 20893157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).