6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H14N4O3S — CID 63373884

IUPAC6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1C(=O)NCCN1C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H14N4O3S/c1-7-9(17)13-2-3-15(7)10(18)8-6-14-12-16(11(8)19)4-5-20-12/h6-7H,2-5H2,1H3,(H,13,17)
InChIKeyXNWVKLMYTOZOSG-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.69
Rot. Bonds1

About 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 63373884) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID63373884
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1C(=O)NCCN1C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H14N4O3S/c1-7-9(17)13-2-3-15(7)10(18)8-6-14-12-16(11(8)19)4-5-20-12/h6-7H,2-5H2,1H3,(H,13,17)
InChIKeyXNWVKLMYTOZOSG-UHFFFAOYSA-N
XLogP-0.69
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 63373884) is 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1C(=O)NCCN1C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XNWVKLMYTOZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-9(17)13-2-3-15(7)10(18)8-6-14-12-16(11(8)19)4-5-20-12/h6-7H,2-5H2,1H3,(H,13,17).
What are the key properties of 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 294.34 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 63373884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).