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

C15H17N5O2S2 — CID 20893161

IUPAC2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCCc3cccs3)sc2n1
InChIInChI=1S/C15H17N5O2S2/c1-10-8-13(22)20-14(17-10)24-15(18-20)19(2)9-12(21)16-6-5-11-4-3-7-23-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,21)
InChIKeyYSTFSHZBULYZMA-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.32
Rot. Bonds6

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

2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 20893161) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID20893161
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC Name2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCCc3cccs3)sc2n1
InChIInChI=1S/C15H17N5O2S2/c1-10-8-13(22)20-14(17-10)24-15(18-20)19(2)9-12(21)16-6-5-11-4-3-7-23-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,21)
InChIKeyYSTFSHZBULYZMA-UHFFFAOYSA-N
XLogP1.32
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 20893161) is 2-[methyl-(7-methyl-5-oxo-[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-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)NCCc3cccs3)sc2n1.
What is the InChIKey of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is YSTFSHZBULYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-10-8-13(22)20-14(17-10)24-15(18-20)19(2)9-12(21)16-6-5-11-4-3-7-23-11/h3-4,7-8H,5-6,9H2,1-2H3,(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-(2-thiophen-2-ylethyl)acetamide?
2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 1.32, 6 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-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 20893161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).