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

C13H17N5O2S — CID 43033736

IUPAC1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(CN3CCC(C(N)=O)CC3)sc2n1
InChIInChI=1S/C13H17N5O2S/c1-8-6-11(19)18-13(15-8)21-10(16-18)7-17-4-2-9(3-5-17)12(14)20/h6,9H,2-5,7H2,1H3,(H2,14,20)
InChIKeyVKAPKZMCRYTNFA-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.16
Rot. Bonds3

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

1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 43033736) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID43033736
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(CN3CCC(C(N)=O)CC3)sc2n1
InChIInChI=1S/C13H17N5O2S/c1-8-6-11(19)18-13(15-8)21-10(16-18)7-17-4-2-9(3-5-17)12(14)20/h6,9H,2-5,7H2,1H3,(H2,14,20)
InChIKeyVKAPKZMCRYTNFA-UHFFFAOYSA-N
XLogP0.16
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide (CID 43033736) is 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide is Cc1cc(=O)n2nc(CN3CCC(C(N)=O)CC3)sc2n1.
What is the InChIKey of 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VKAPKZMCRYTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8-6-11(19)18-13(15-8)21-10(16-18)7-17-4-2-9(3-5-17)12(14)20/h6,9H,2-5,7H2,1H3,(H2,14,20).
What are the key properties of 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide?
1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.16, 3 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)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43033736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).