2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one

C17H17N5O2S2 — CID 136850282

About 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one

2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 136850282) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
• PubChem CID: 136850282
• Molecular Formula: C17H17N5O2S2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.08
• IUPAC Name: 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
• SMILES: Cc1nnsc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1
• InChI: InChI=1S/C17H17N5O2S2/c1-10-15(26-21-20-10)17(24)22-6-2-4-11(9-22)16-18-12(8-14(23)19-16)13-5-3-7-25-13/h3,5,7-8,11H,2,4,6,9H2,1H3,(H,18,19,23)/t11-/m0/s1
• InChIKey: HGIYAMPEBUMJHV-NSHDSACASA-N
• XLogP: 2.68
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?

The IUPAC name of 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one (CID 136850282) is 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one is Cc1nnsc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1.

What is the InChIKey of 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?

The InChIKey is HGIYAMPEBUMJHV-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N5O2S2/c1-10-15(26-21-20-10)17(24)22-6-2-4-11(9-22)16-18-12(8-14(23)19-16)13-5-3-7-25-13/h3,5,7-8,11H,2,4,6,9H2,1H3,(H,18,19,23)/t11-/m0/s1.

What are the key properties of 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?

2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 387.49 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136850282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).