N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride

C35H42ClN13O9S2 — CID 167548808

About N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride

N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 167548808) has the molecular formula C35H42ClN13O9S2 and a molecular weight of 888.39 g/mol. Its IUPAC name is N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride
• PubChem CID: 167548808
• Molecular Formula: C35H42ClN13O9S2
• Molecular Weight: 888.39 g/mol
• Exact Mass: 887.24
• IUPAC Name: N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride
• SMILES: Cl.O=C(CN1CCS(=O)(=O)CC1)NCC(=O)c1cccc2nc(NC(=O)C3CC3)nn12.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CC1
• InChI: InChI=1S/C18H22N6O5S.C17H19N7O4S.ClH/c25-14(10-19-16(26)11-23-6-8-30(28,29)9-7-23)13-2-1-3-15-20-18(22-24(13)15)21-17(27)12-4-5-12;25-15(11-4-5-11)19-17-18-13-3-1-2-12(24(13)22-17)16-21-20-14(28-16)10-23-6-8-29(26,27)9-7-23;/h1-3,12H,4-11H2,(H,19,26)(H,21,22,27);1-3,11H,4-10H2,(H,19,22,25);1H
• InChIKey: UNASMTJRSQWKFD-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 278.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.39
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?

The IUPAC name of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride (CID 167548808) is N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride.

What is the SMILES notation for N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?

The canonical SMILES for N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride is Cl.O=C(CN1CCS(=O)(=O)CC1)NCC(=O)c1cccc2nc(NC(=O)C3CC3)nn12.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CC1.

What is the InChIKey of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?

The InChIKey is UNASMTJRSQWKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O5S.C17H19N7O4S.ClH/c25-14(10-19-16(26)11-23-6-8-30(28,29)9-7-23)13-2-1-3-15-20-18(22-24(13)15)21-17(27)12-4-5-12;25-15(11-4-5-11)19-17-18-13-3-1-2-12(24(13)22-17)16-21-20-14(28-16)10-23-6-8-29(26,27)9-7-23;/h1-3,12H,4-11H2,(H,19,26)(H,21,22,27);1-3,11H,4-10H2,(H,19,22,25);1H.

What are the key properties of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?

N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 888.39 g/mol, XLogP of -0.11, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 167548808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).