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

C11H15N5O2S — CID 18147135

IUPACN,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)N(C)C)sc2n1
InChIInChI=1S/C11H15N5O2S/c1-7-5-8(17)16-10(12-7)19-11(13-16)15(4)6-9(18)14(2)3/h5H,6H2,1-4H3
InChIKeyASHMSCGRFMYWCI-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.02
Rot. Bonds3

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

N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 18147135) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID18147135
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCc1cc(=O)n2nc(N(C)CC(=O)N(C)C)sc2n1
InChIInChI=1S/C11H15N5O2S/c1-7-5-8(17)16-10(12-7)19-11(13-16)15(4)6-9(18)14(2)3/h5H,6H2,1-4H3
InChIKeyASHMSCGRFMYWCI-UHFFFAOYSA-N
XLogP-0.02
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 18147135) is N,N-dimethyl-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,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)N(C)C)sc2n1.
What is the InChIKey of N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is ASHMSCGRFMYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-5-8(17)16-10(12-7)19-11(13-16)15(4)6-9(18)14(2)3/h5H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 281.34 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 18147135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).