7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H24N6O2S — CID 3242405

IUPAC7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)N4CCN(C)CC4)C3)sc2n1
InChIInChI=1S/C17H24N6O2S/c1-12-10-14(24)23-16(18-12)26-17(19-23)22-5-3-4-13(11-22)15(25)21-8-6-20(2)7-9-21/h10,13H,3-9,11H2,1-2H3
InChIKeyILJAMQMTWGSIKA-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.45
Rot. Bonds2

About 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3242405) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID3242405
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC(C(=O)N4CCN(C)CC4)C3)sc2n1
InChIInChI=1S/C17H24N6O2S/c1-12-10-14(24)23-16(18-12)26-17(19-23)22-5-3-4-13(11-22)15(25)21-8-6-20(2)7-9-21/h10,13H,3-9,11H2,1-2H3
InChIKeyILJAMQMTWGSIKA-UHFFFAOYSA-N
XLogP0.45
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 3242405) is 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCN(C)CC4)C3)sc2n1.
What is the InChIKey of 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ILJAMQMTWGSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-12-10-14(24)23-16(18-12)26-17(19-23)22-5-3-4-13(11-22)15(25)21-8-6-20(2)7-9-21/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 376.49 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3242405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).