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

C16H23N5O2S — CID 20892942

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

N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892942) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
• PubChem CID: 20892942
• Molecular Formula: C16H23N5O2S
• Molecular Weight: 349.46 g/mol
• Exact Mass: 349.16
• IUPAC Name: N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
• SMILES: CCC(C)NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1
• InChI: InChI=1S/C16H23N5O2S/c1-4-10(2)17-14(23)12-5-7-20(8-6-12)16-19-21-13(22)9-11(3)18-15(21)24-16/h9-10,12H,4-8H2,1-3H3,(H,17,23)
• InChIKey: DOHULSAKCJDCFD-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.46
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

The IUPAC name of N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892942) is N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

The canonical SMILES for N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1.

What is the InChIKey of N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

The InChIKey is DOHULSAKCJDCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-4-10(2)17-14(23)12-5-7-20(8-6-12)16-19-21-13(22)9-11(3)18-15(21)24-16/h9-10,12H,4-8H2,1-3H3,(H,17,23).

What are the key properties of N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).