ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

C85H68N26O15S8 — CID 162281804

About ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 162281804) has the molecular formula C85H68N26O15S8 and a molecular weight of 1950.18 g/mol. Its IUPAC name is ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 162281804
• Molecular Formula: C85H68N26O15S8
• Molecular Weight: 1950.18 g/mol
• Exact Mass: 1948.31
• IUPAC Name: ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1.O=C(Nc1sccc1C(=O)NCC1CCCO1)c1nc2cnccc2s1.O=C(Nc1sccc1C(=O)Nc1cc(-c2ccncc2)[nH]n1)c1nc2cnccc2s1.O=C(Nc1sccc1C(=O)Nc1ccccn1)c1nc2cnccc2s1
• InChI: InChI=1S/C20H13N7O2S2.C17H11N5O2S2.C17H16N4O3S2.C16H15N5O4S.C15H13N5O4S/c28-17(24-16-9-13(26-27-16)11-1-5-21-6-2-11)12-4-8-30-19(12)25-18(29)20-23-14-10-22-7-3-15(14)31-20;23-14(21-13-3-1-2-6-19-13)10-5-8-25-16(10)22-15(24)17-20-11-9-18-7-4-12(11)26-17;22-14(19-8-10-2-1-6-24-10)11-4-7-25-16(11)21-15(23)17-20-12-9-18-5-3-13(12)26-17;1-9(2)25-16(24)19-14(23)11-4-6-26-15(11)18-13(22)10-3-5-21-8-17-20-12(21)7-10;1-2-24-15(23)18-13(22)10-4-6-25-14(10)17-12(21)9-3-5-20-8-16-19-11(20)7-9/h1-10H,(H,25,29)(H2,24,26,27,28);1-9H,(H,22,24)(H,19,21,23);3-5,7,9-10H,1-2,6,8H2,(H,19,22)(H,21,23);3-9H,1-2H3,(H,18,22)(H,19,23,24);3-8H,2H2,1H3,(H,17,21)(H,18,22,23)
• InChIKey: CRDMNLCJWVWFIA-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 545.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1950.18
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 162281804) is ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1.O=C(Nc1sccc1C(=O)NCC1CCCO1)c1nc2cnccc2s1.O=C(Nc1sccc1C(=O)Nc1cc(-c2ccncc2)[nH]n1)c1nc2cnccc2s1.O=C(Nc1sccc1C(=O)Nc1ccccn1)c1nc2cnccc2s1.

What is the InChIKey of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

The InChIKey is CRDMNLCJWVWFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7O2S2.C17H11N5O2S2.C17H16N4O3S2.C16H15N5O4S.C15H13N5O4S/c28-17(24-16-9-13(26-27-16)11-1-5-21-6-2-11)12-4-8-30-19(12)25-18(29)20-23-14-10-22-7-3-15(14)31-20;23-14(21-13-3-1-2-6-19-13)10-5-8-25-16(10)22-15(24)17-20-11-9-18-7-4-12(11)26-17;22-14(19-8-10-2-1-6-24-10)11-4-7-25-16(11)21-15(23)17-20-12-9-18-5-3-13(12)26-17;1-9(2)25-16(24)19-14(23)11-4-6-26-15(11)18-13(22)10-3-5-21-8-17-20-12(21)7-10;1-2-24-15(23)18-13(22)10-4-6-25-14(10)17-12(21)9-3-5-20-8-16-19-11(20)7-9/h1-10H,(H,25,29)(H2,24,26,27,28);1-9H,(H,22,24)(H,19,21,23);3-5,7,9-10H,1-2,6,8H2,(H,19,22)(H,21,23);3-9H,1-2H3,(H,18,22)(H,19,23,24);3-8H,2H2,1H3,(H,17,21)(H,18,22,23).

What are the key properties of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 1950.18 g/mol, XLogP of 14.86, 22 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(oxolan-2-ylmethylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;propan-2-yl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(pyridin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide;N-[3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoyl]thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 162281804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).