N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine

C82H91N15O7S6 — CID 159071931

About N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine

N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine (PubChem CID 159071931) has the molecular formula C82H91N15O7S6 and a molecular weight of 1591.13 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine
• PubChem CID: 159071931
• Molecular Formula: C82H91N15O7S6
• Molecular Weight: 1591.13 g/mol
• Exact Mass: 1589.56
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine
• SMILES: C=CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)CCNCCc3cccnc3)c2-c2nc3ccccc3s2)C1.NCCc1cccnc1.O=C(CCNCCc1cccnc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2
• InChI: InChI=1S/C29H33N5O3S2.C24H25N5OS2.C22H23N3O3S2.C7H10N2/c1-29(2,3)37-28(36)34-16-12-20-23(18-34)39-27(25(20)26-32-21-8-4-5-9-22(21)38-26)33-24(35)11-15-30-14-10-19-7-6-13-31-17-19;30-21(9-13-25-11-7-16-4-3-10-26-14-16)29-24-22(17-8-12-27-15-20(17)32-24)23-28-18-5-1-2-6-19(18)31-23;1-5-17(26)24-20-18(19-23-14-8-6-7-9-15(14)29-19)13-10-11-25(12-16(13)30-20)21(27)28-22(2,3)4;8-4-3-7-2-1-5-9-6-7/h4-9,13,17,30H,10-12,14-16,18H2,1-3H3,(H,33,35);1-6,10,14,25,27H,7-9,11-13,15H2,(H,29,30);5-9H,1,10-12H2,2-4H3,(H,24,26);1-2,5-6H,3-4,8H2
• InChIKey: JZTMGVZVNQPCHZ-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 285.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1591.13
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine (CID 159071931) is N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine is C=CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)CCNCCc3cccnc3)c2-c2nc3ccccc3s2)C1.NCCc1cccnc1.O=C(CCNCCc1cccnc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine?

The InChIKey is JZTMGVZVNQPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3S2.C24H25N5OS2.C22H23N3O3S2.C7H10N2/c1-29(2,3)37-28(36)34-16-12-20-23(18-34)39-27(25(20)26-32-21-8-4-5-9-22(21)38-26)33-24(35)11-15-30-14-10-19-7-6-13-31-17-19;30-21(9-13-25-11-7-16-4-3-10-26-14-16)29-24-22(17-8-12-27-15-20(17)32-24)23-28-18-5-1-2-6-19(18)31-23;1-5-17(26)24-20-18(19-23-14-8-6-7-9-15(14)29-19)13-10-11-25(12-16(13)30-20)21(27)28-22(2,3)4;8-4-3-7-2-1-5-9-6-7/h4-9,13,17,30H,10-12,14-16,18H2,1-3H3,(H,33,35);1-6,10,14,25,27H,7-9,11-13,15H2,(H,29,30);5-9H,1,10-12H2,2-4H3,(H,24,26);1-2,5-6H,3-4,8H2.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine?

N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine has a molecular weight of 1591.13 g/mol, XLogP of 16.13, 21 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(prop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-pyridin-3-ylethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-pyridin-3-ylethanamine is sourced from PubChem (CID 159071931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).