N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C59H65FN14O9S6 — CID 167597984

About N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 167597984) has the molecular formula C59H65FN14O9S6 and a molecular weight of 1325.66 g/mol. Its IUPAC name is N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 167597984
• Molecular Formula: C59H65FN14O9S6
• Molecular Weight: 1325.66 g/mol
• Exact Mass: 1324.34
• IUPAC Name: N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: Cc1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)sc1CN1CCS(=O)(=O)CC1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)s3)cccc2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1
• InChI: InChI=1S/C20H21FN4O3S2.C20H23N5O3S2.C19H21N5O3S2/c21-15-10-14(15)20(26)23-18-12-25-16(2-1-3-19(25)22-18)17-5-4-13(29-17)11-24-6-8-30(27,28)9-7-24;1-13-11-16(29-17(13)12-24-7-9-30(27,28)10-8-24)15-3-2-4-18-21-20(23-25(15)18)22-19(26)14-5-6-14;25-18(13-4-5-13)21-19-20-17-3-1-2-15(24(17)22-19)16-7-6-14(28-16)12-23-8-10-29(26,27)11-9-23/h1-5,12,14-15H,6-11H2,(H,23,26);2-4,11,14H,5-10,12H2,1H3,(H,22,23,26);1-3,6-7,13H,4-5,8-12H2,(H,21,22,25)/t14-,15-;;/m0../s1
• InChIKey: JINKICDFRUITGN-WVFPUEBHSA-N
• XLogP: 6.97
• TPSA: 277.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.66
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 167597984) is N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)sc1CN1CCS(=O)(=O)CC1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)s3)cccc2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.

What is the InChIKey of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is JINKICDFRUITGN-WVFPUEBHSA-N. The full InChI is InChI=1S/C20H21FN4O3S2.C20H23N5O3S2.C19H21N5O3S2/c21-15-10-14(15)20(26)23-18-12-25-16(2-1-3-19(25)22-18)17-5-4-13(29-17)11-24-6-8-30(27,28)9-7-24;1-13-11-16(29-17(13)12-24-7-9-30(27,28)10-8-24)15-3-2-4-18-21-20(23-25(15)18)22-19(26)14-5-6-14;25-18(13-4-5-13)21-19-20-17-3-1-2-15(24(17)22-19)16-7-6-14(28-16)12-23-8-10-29(26,27)11-9-23/h1-5,12,14-15H,6-11H2,(H,23,26);2-4,11,14H,5-10,12H2,1H3,(H,22,23,26);1-3,6-7,13H,4-5,8-12H2,(H,21,22,25)/t14-,15-;;/m0../s1.

What are the key properties of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 1325.66 g/mol, XLogP of 6.97, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167597984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).