3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

C99H120Br2N18O9S4 — CID 160940672

About 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 160940672) has the molecular formula C99H120Br2N18O9S4 and a molecular weight of 1994.24 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
• PubChem CID: 160940672
• Molecular Formula: C99H120Br2N18O9S4
• Molecular Weight: 1994.24 g/mol
• Exact Mass: 1990.67
• IUPAC Name: 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(CCNC(=O)c3sc4nc(C5CC5)ccc4c3N)cc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.COC(=O)c1sc2nc(C3CC3)ccc2c1N.NCCc1ccc(Br)cc1.Nc1c(C(=O)NCCc2ccc(Br)cc2)sc2nc(C3CC3)ccc12.Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2nc(C3CC3)ccc12
• InChI: InChI=1S/C28H35N5O3S.C23H27N5OS.C19H18BrN3OS.C12H12N2O2S.C9H18N2O2.C8H10BrN/c1-28(2,3)36-27(35)33-16-14-32(15-17-33)20-8-4-18(5-9-20)12-13-30-25(34)24-23(29)21-10-11-22(19-6-7-19)31-26(21)37-24;24-20-18-7-8-19(16-3-4-16)27-23(18)30-21(20)22(29)26-10-9-15-1-5-17(6-2-15)28-13-11-25-12-14-28;20-13-5-1-11(2-6-13)9-10-22-18(24)17-16(21)14-7-8-15(12-3-4-12)23-19(14)25-17;1-16-12(15)10-9(13)7-4-5-8(6-2-3-6)14-11(7)17-10;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-8-3-1-7(2-4-8)5-6-10/h4-5,8-11,19H,6-7,12-17,29H2,1-3H3,(H,30,34);1-2,5-8,16,25H,3-4,9-14,24H2,(H,26,29);1-2,5-8,12H,3-4,9-10,21H2,(H,22,24);4-6H,2-3,13H2,1H3;10H,4-7H2,1-3H3;1-4H,5-6,10H2
• InChIKey: SULVCHCNPBXOOQ-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 384.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.24
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?

The IUPAC name of 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate (CID 160940672) is 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(CCNC(=O)c3sc4nc(C5CC5)ccc4c3N)cc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.COC(=O)c1sc2nc(C3CC3)ccc2c1N.NCCc1ccc(Br)cc1.Nc1c(C(=O)NCCc2ccc(Br)cc2)sc2nc(C3CC3)ccc12.Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2nc(C3CC3)ccc12.

What is the InChIKey of 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?

The InChIKey is SULVCHCNPBXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3S.C23H27N5OS.C19H18BrN3OS.C12H12N2O2S.C9H18N2O2.C8H10BrN/c1-28(2,3)36-27(35)33-16-14-32(15-17-33)20-8-4-18(5-9-20)12-13-30-25(34)24-23(29)21-10-11-22(19-6-7-19)31-26(21)37-24;24-20-18-7-8-19(16-3-4-16)27-23(18)30-21(20)22(29)26-10-9-15-1-5-17(6-2-15)28-13-11-25-12-14-28;20-13-5-1-11(2-6-13)9-10-22-18(24)17-16(21)14-7-8-15(12-3-4-12)23-19(14)25-17;1-16-12(15)10-9(13)7-4-5-8(6-2-3-6)14-11(7)17-10;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-8-3-1-7(2-4-8)5-6-10/h4-5,8-11,19H,6-7,12-17,29H2,1-3H3,(H,30,34);1-2,5-8,16,25H,3-4,9-14,24H2,(H,26,29);1-2,5-8,12H,3-4,9-10,21H2,(H,22,24);4-6H,2-3,13H2,1H3;10H,4-7H2,1-3H3;1-4H,5-6,10H2.

What are the key properties of 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?

3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 1994.24 g/mol, XLogP of 17.73, 21 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(4-bromophenyl)ethyl]-6-cyclopropylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-cyclopropyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;2-(4-bromophenyl)ethanamine;tert-butyl 4-[4-[2-[(3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 160940672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).