N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C13H19N3O2S — CID 16867865

IUPACN,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C13H19N3O2S/c1-4-15(5-2)11(17)7-10-8-19-13-14-9(3)6-12(18)16(10)13/h6,10H,4-5,7-8H2,1-3H3
InChIKeyLPPUJKYYMSZDNI-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.46
Rot. Bonds4

About N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16867865) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16867865
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C13H19N3O2S/c1-4-15(5-2)11(17)7-10-8-19-13-14-9(3)6-12(18)16(10)13/h6,10H,4-5,7-8H2,1-3H3
InChIKeyLPPUJKYYMSZDNI-UHFFFAOYSA-N
XLogP1.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16867865) is N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCN(CC)C(=O)CC1CSc2nc(C)cc(=O)n21.
What is the InChIKey of N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is LPPUJKYYMSZDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-15(5-2)11(17)7-10-8-19-13-14-9(3)6-12(18)16(10)13/h6,10H,4-5,7-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16867865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).