1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide

C15H21N5O2S — CID 6623667

IUPAC1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
InChIInChI=1S/C15H21N5O2S/c1-3-6-16-13(22)11-4-7-19(8-5-11)15-18-20-12(21)9-10(2)17-14(20)23-15/h9,11H,3-8H2,1-2H3,(H,16,22)
InChIKeyZBYNXSDNNREVBP-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.20
Rot. Bonds4

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

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 6623667) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide
PubChem CID6623667
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
InChIInChI=1S/C15H21N5O2S/c1-3-6-16-13(22)11-4-7-19(8-5-11)15-18-20-12(21)9-10(2)17-14(20)23-15/h9,11H,3-8H2,1-2H3,(H,16,22)
InChIKeyZBYNXSDNNREVBP-UHFFFAOYSA-N
XLogP1.20
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-2-{4-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3241629
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893055
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 16012128
N-(2-methoxyethyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 3242901
N-(4-methylcyclohexyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893031
LN6023 dihydrochloride
CID 165413191
N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893034
1-{[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 135413620
N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 6625307
N-Ethyl-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20893375
7-Ethyl-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133346921
N-[2-(1-Cyclohexenyl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL)-4-piperidinecarboxamide
CID 3238784

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide (CID 6623667) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1.
What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is ZBYNXSDNNREVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-6-16-13(22)11-4-7-19(8-5-11)15-18-20-12(21)9-10(2)17-14(20)23-15/h9,11H,3-8H2,1-2H3,(H,16,22).
What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide?
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 6623667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).