cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C56H60F2N16O9S6 — CID 167655875

About cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 167655875) has the molecular formula C56H60F2N16O9S6 and a molecular weight of 1331.60 g/mol. Its IUPAC name is cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 167655875
• Molecular Formula: C56H60F2N16O9S6
• Molecular Weight: 1331.60 g/mol
• Exact Mass: 1330.30
• IUPAC Name: cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)[C@H]1C[C@H]1F.O=C(Nc1nc2cccc(-c3cnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1
• InChI: InChI=1S/2C19H20FN5O3S2.C18H20N6O3S2/c2*20-14-10-13(14)18(26)22-19-21-17-3-1-2-15(25(17)23-19)16-5-4-12(29-16)11-24-6-8-30(27,28)9-7-24;25-17(12-4-5-12)21-18-20-15-3-1-2-13(24(15)22-18)14-10-19-16(28-14)11-23-6-8-29(26,27)9-7-23/h2*1-5,13-14H,6-11H2,(H,22,23,26);1-3,10,12H,4-9,11H2,(H,21,22,25)/t13-,14+;13-,14-;/m00./s1
• InChIKey: RGECUBCEVXQNJB-FHFKYLAUSA-N
• XLogP: 5.40
• TPSA: 302.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.60
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 167655875) is cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)[C@H]1C[C@H]1F.O=C(Nc1nc2cccc(-c3cnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.

What is the InChIKey of cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is RGECUBCEVXQNJB-FHFKYLAUSA-N. The full InChI is InChI=1S/2C19H20FN5O3S2.C18H20N6O3S2/c2*20-14-10-13(14)18(26)22-19-21-17-3-1-2-15(25(17)23-19)16-5-4-12(29-16)11-24-6-8-30(27,28)9-7-24;25-17(12-4-5-12)21-18-20-15-3-1-2-13(24(15)22-18)14-10-19-16(28-14)11-23-6-8-29(26,27)9-7-23/h2*1-5,13-14H,6-11H2,(H,22,23,26);1-3,10,12H,4-9,11H2,(H,21,22,25)/t13-,14+;13-,14-;/m00./s1.

What are the key properties of cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 1331.60 g/mol, XLogP of 5.40, 15 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-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]-2-fluorocyclopropane-1-carboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-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]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167655875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).