5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine

C55H52BBrN16O10S5 — CID 167635175

About 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine

5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 167635175) has the molecular formula C55H52BBrN16O10S5 and a molecular weight of 1348.17 g/mol. Its IUPAC name is 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

• Compound Name: 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine
• PubChem CID: 167635175
• Molecular Formula: C55H52BBrN16O10S5
• Molecular Weight: 1348.17 g/mol
• Exact Mass: 1346.19
• IUPAC Name: 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine
• SMILES: NCCc1nccs1.O=C(NCCc1nccs1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(O)c1ccc(B(O)O)s1
• InChI: InChI=1S/C20H18N6O2S2.C15H12N4O3S.C10H9BrN4O.C5H5BO4S.C5H8N2S/c27-18(12-4-5-12)24-20-23-16-3-1-2-13(26(16)25-20)14-6-7-15(30-14)19(28)22-9-8-17-21-10-11-29-17;20-13(8-4-5-8)17-15-16-12-3-1-2-9(19(12)18-15)10-6-7-11(23-10)14(21)22;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;7-5(8)3-1-2-4(11-3)6(9)10;6-2-1-5-7-3-4-8-5/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,28)(H,24,25,27);1-3,6-8H,4-5H2,(H,21,22)(H,17,18,20);1-3,6H,4-5H2,(H,13,14,16);1-2,9-10H,(H,7,8);3-4H,1-2,6H2
• InChIKey: OJJDXVLMSYNRJL-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 373.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1348.17
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?

The IUPAC name of 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine (CID 167635175) is 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine.

What is the SMILES notation for 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?

The canonical SMILES for 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine is NCCc1nccs1.O=C(NCCc1nccs1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(O)c1ccc(B(O)O)s1.

What is the InChIKey of 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?

The InChIKey is OJJDXVLMSYNRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2.C15H12N4O3S.C10H9BrN4O.C5H5BO4S.C5H8N2S/c27-18(12-4-5-12)24-20-23-16-3-1-2-13(26(16)25-20)14-6-7-15(30-14)19(28)22-9-8-17-21-10-11-29-17;20-13(8-4-5-8)17-15-16-12-3-1-2-9(19(12)18-15)10-6-7-11(23-10)14(21)22;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;7-5(8)3-1-2-4(11-3)6(9)10;6-2-1-5-7-3-4-8-5/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,28)(H,24,25,27);1-3,6-8H,4-5H2,(H,21,22)(H,17,18,20);1-3,6H,4-5H2,(H,13,14,16);1-2,9-10H,(H,7,8);3-4H,1-2,6H2.

What are the key properties of 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?

5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 1348.17 g/mol, XLogP of 7.35, 17 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 167635175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).