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

C13H17N5O2S — CID 6625307

IUPACN-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1
InChIInChI=1S/C13H17N5O2S/c1-8-6-10(19)18-12(15-8)21-13(16-18)17-5-3-4-9(7-17)11(20)14-2/h6,9H,3-5,7H2,1-2H3,(H,14,20)
InChIKeyZUDGZCTUNKFTBO-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.42
Rot. Bonds2

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

N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 6625307) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID6625307
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1
InChIInChI=1S/C13H17N5O2S/c1-8-6-10(19)18-12(15-8)21-13(16-18)17-5-3-4-9(7-17)11(20)14-2/h6,9H,3-5,7H2,1-2H3,(H,14,20)
InChIKeyZUDGZCTUNKFTBO-UHFFFAOYSA-N
XLogP0.42
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide (CID 6625307) is N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1.
What is the InChIKey of N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is ZUDGZCTUNKFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8-6-10(19)18-12(15-8)21-13(16-18)17-5-3-4-9(7-17)11(20)14-2/h6,9H,3-5,7H2,1-2H3,(H,14,20).
What are the key properties of N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide?
N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 6625307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).