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

C16H21N5O2S — CID 20893127

IUPAC7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)N3CCCCC3)sc2n1
InChIInChI=1S/C16H21N5O2S/c1-11-10-13(22)21-15(17-11)24-16(18-21)20-9-5-6-12(20)14(23)19-7-3-2-4-8-19/h10,12H,2-9H2,1H3
InChIKeyJMHYBHHWJCGKGZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.44
Rot. Bonds2

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

7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20893127) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20893127
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)N3CCCCC3)sc2n1
InChIInChI=1S/C16H21N5O2S/c1-11-10-13(22)21-15(17-11)24-16(18-21)20-9-5-6-12(20)14(23)19-7-3-2-4-8-19/h10,12H,2-9H2,1H3
InChIKeyJMHYBHHWJCGKGZ-UHFFFAOYSA-N
XLogP1.44
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20893127) is 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCCC3C(=O)N3CCCCC3)sc2n1.
What is the InChIKey of 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JMHYBHHWJCGKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-10-13(22)21-15(17-11)24-16(18-21)20-9-5-6-12(20)14(23)19-7-3-2-4-8-19/h10,12H,2-9H2,1H3.
What are the key properties of 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 347.44 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20893127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).