2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

C17H23N5O3S — CID 95064277

About 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 95064277) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
• PubChem CID: 95064277
• Molecular Formula: C17H23N5O3S
• Molecular Weight: 377.47 g/mol
• Exact Mass: 377.15
• IUPAC Name: 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
• SMILES: CC1CCN(c2nn3c(C(=O)NC[C@@H]4CCCO4)cc(=O)nc3s2)CC1
• InChI: InChI=1S/C17H23N5O3S/c1-11-4-6-21(7-5-11)17-20-22-13(9-14(23)19-16(22)26-17)15(24)18-10-12-3-2-8-25-12/h9,11-12H,2-8,10H2,1H3,(H,18,24)/t12-/m0/s1
• InChIKey: OUTJCUYCUORADW-LBPRGKRZSA-N
• XLogP: 1.30
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.47
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?

The IUPAC name of 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (CID 95064277) is 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?

The canonical SMILES for 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is CC1CCN(c2nn3c(C(=O)NC[C@@H]4CCCO4)cc(=O)nc3s2)CC1.

What is the InChIKey of 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?

The InChIKey is OUTJCUYCUORADW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-11-4-6-21(7-5-11)17-20-22-13(9-14(23)19-16(22)26-17)15(24)18-10-12-3-2-8-25-12/h9,11-12H,2-8,10H2,1H3,(H,18,24)/t12-/m0/s1.

What are the key properties of 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?

2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylpiperidin-1-yl)-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 95064277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).