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

C14H19N5O3S — CID 20893149

IUPAC2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCC3CCCO3)sc2n1
InChIInChI=1S/C14H19N5O3S/c1-9-6-12(21)19-13(16-9)23-14(17-19)18(2)8-11(20)15-7-10-4-3-5-22-10/h6,10H,3-5,7-8H2,1-2H3,(H,15,20)
InChIKeyQNSGJUFDCKQFCN-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.19
Rot. Bonds5

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

2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 20893149) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID20893149
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)NCC3CCCO3)sc2n1
InChIInChI=1S/C14H19N5O3S/c1-9-6-12(21)19-13(16-9)23-14(17-19)18(2)8-11(20)15-7-10-4-3-5-22-10/h6,10H,3-5,7-8H2,1-2H3,(H,15,20)
InChIKeyQNSGJUFDCKQFCN-UHFFFAOYSA-N
XLogP0.19
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.19
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-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 20893149) is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)NCC3CCCO3)sc2n1.
What is the InChIKey of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QNSGJUFDCKQFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-6-12(21)19-13(16-9)23-14(17-19)18(2)8-11(20)15-7-10-4-3-5-22-10/h6,10H,3-5,7-8H2,1-2H3,(H,15,20).
What are the key properties of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.19, 5 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 20893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).