4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide

C₄₁H₄₃N₁₁O₅S₂ — CID 159834991

About 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide

4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide (PubChem CID 159834991) has the molecular formula C₄₁H₄₃N₁₁O₅S₂ and a molecular weight of 834.00 g/mol. Its IUPAC name is 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide.

Molecular Properties

• Compound Name: 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide
• PubChem CID: 159834991
• Molecular Formula: C₄₁H₄₃N₁₁O₅S₂
• Molecular Weight: 834.00 g/mol
• Exact Mass: 833.29
• IUPAC Name: 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide
• SMILES: CC1=NS(=O)C(n2cc(CCc3ccc(-c4cnc5c(c4)OCCN5C)nc3)cn2)=C1.CN(C(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1)c1ccccc1
• InChI: InChI=1S/C22H22N6O2S.C19H21N5O3S/c1-15-9-21(31(29)26-15)28-14-17(12-25-28)4-3-16-5-6-19(23-11-16)18-10-20-22(24-13-18)27(2)7-8-30-20;1-22(16-5-3-2-4-6-16)19(26)23-9-7-14(8-10-23)15-12-20-24(13-15)18-11-17(25)21-28(18)27/h5-6,9-14H,3-4,7-8H2,1-2H3;2-6,11-14H,7-10H2,1H3,(H,21,25)
• InChIKey: NNYILZZMYFKLQE-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 173.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.00
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide?

The IUPAC name of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide (CID 159834991) is 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide.

What is the SMILES notation for 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide?

The canonical SMILES for 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide is CC1=NS(=O)C(n2cc(CCc3ccc(-c4cnc5c(c4)OCCN5C)nc3)cn2)=C1.CN(C(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1)c1ccccc1.

What is the InChIKey of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide?

The InChIKey is NNYILZZMYFKLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S.C19H21N5O3S/c1-15-9-21(31(29)26-15)28-14-17(12-25-28)4-3-16-5-6-19(23-11-16)18-10-20-22(24-13-18)27(2)7-8-30-20;1-22(16-5-3-2-4-6-16)19(26)23-9-7-14(8-10-23)15-12-20-24(13-15)18-11-17(25)21-28(18)27/h5-6,9-14H,3-4,7-8H2,1-2H3;2-6,11-14H,7-10H2,1H3,(H,21,25).

What are the key properties of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide?

4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide has a molecular weight of 834.00 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;3-methyl-5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1,2-thiazole 1-oxide is sourced from PubChem (CID 159834991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159834991 — identifiers, structure, computed properties (public domain)

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