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

C17H21N5O2S2 — CID 20893261

IUPAC2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3cccs3)sc2n1
InChIInChI=1S/C17H21N5O2S2/c1-3-5-12-10-15(24)22-16(19-12)26-17(20-22)21(2)11-14(23)18-8-7-13-6-4-9-25-13/h4,6,9-10H,3,5,7-8,11H2,1-2H3,(H,18,23)
InChIKeyAAPYLOOIMGWEFV-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.96
Rot. Bonds8

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

2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 20893261) has the molecular formula C17H21N5O2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID20893261
Molecular FormulaC17H21N5O2S2
Molecular Weight391.52 g/mol
Exact Mass391.11
IUPAC Name2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3cccs3)sc2n1
InChIInChI=1S/C17H21N5O2S2/c1-3-5-12-10-15(24)22-16(19-12)26-17(20-22)21(2)11-14(23)18-8-7-13-6-4-9-25-13/h4,6,9-10H,3,5,7-8,11H2,1-2H3,(H,18,23)
InChIKeyAAPYLOOIMGWEFV-UHFFFAOYSA-N
XLogP1.96
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 20893261) is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3cccs3)sc2n1.
What is the InChIKey of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is AAPYLOOIMGWEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S2/c1-3-5-12-10-15(24)22-16(19-12)26-17(20-22)21(2)11-14(23)18-8-7-13-6-4-9-25-13/h4,6,9-10H,3,5,7-8,11H2,1-2H3,(H,18,23).
What are the key properties of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 20893261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).