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

C17H24N6O2S — CID 3241629

IUPAC7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1
InChIInChI=1S/C17H24N6O2S/c1-12-11-14(24)23-16(18-12)26-17(19-23)22-5-3-13(4-6-22)15(25)21-9-7-20(2)8-10-21/h11,13H,3-10H2,1-2H3
InChIKeyYJPUGOCGTQNIKP-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.45
Rot. Bonds2

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

7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3241629) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID3241629
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1
InChIInChI=1S/C17H24N6O2S/c1-12-11-14(24)23-16(18-12)26-17(19-23)22-5-3-13(4-6-22)15(25)21-9-7-20(2)8-10-21/h11,13H,3-10H2,1-2H3
InChIKeyYJPUGOCGTQNIKP-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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Related Compounds

7-methyl-2-{3-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3242405
Ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 20892933
7-Methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 6623470
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-propylpiperidine-4-carboxamide
CID 6623667
7-Propyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-YL]-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20893407
Ethyl 4-(1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-3-carbonyl)piperazine-1-carboxylate
CID 46261627
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 6620243
2-[4-(Azepane-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147147
7-Methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18209038
7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892935
2-[4-(3,5-Dimethylpiperidine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892936
2-[4-(4-Ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892937

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 3241629) is 7-methyl-2-[4-(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-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1.
What is the InChIKey of 7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YJPUGOCGTQNIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-12-11-14(24)23-16(18-12)26-17(19-23)22-5-3-13(4-6-22)15(25)21-9-7-20(2)8-10-21/h11,13H,3-10H2,1-2H3.
What are the key properties of 7-methyl-2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[4-(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-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3241629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).