3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile

C67H40BrCl2N17O2S8 — CID 165048110

About 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile

3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile (PubChem CID 165048110) has the molecular formula C67H40BrCl2N17O2S8 and a molecular weight of 1522.52 g/mol. Its IUPAC name is 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
• PubChem CID: 165048110
• Molecular Formula: C67H40BrCl2N17O2S8
• Molecular Weight: 1522.52 g/mol
• Exact Mass: 1518.99
• IUPAC Name: 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
• SMILES: N#Cc1cc(NCc2cccs2)c2scc(Br)c2n1.[C-]#[N+]c1csc2c(NCc3ccco3)cc(C#N)nc12.[C-]#[N+]c1csc2c(NCc3ccco3)cc(Cl)nc12.[C-]#[N+]c1csc2c(NCc3cccs3)cc(C#N)nc12.[C-]#[N+]c1csc2c(NCc3cccs3)cc(Cl)nc12
• InChI: InChI=1S/C14H8N4OS.C14H8N4S2.C13H8BrN3S2.C13H8ClN3OS.C13H8ClN3S2/c2*1-16-12-8-20-14-11(5-9(6-15)18-13(12)14)17-7-10-3-2-4-19-10;14-10-7-19-13-11(4-8(5-15)17-12(10)13)16-6-9-2-1-3-18-9;2*1-15-10-7-19-13-9(5-11(14)17-12(10)13)16-6-8-3-2-4-18-8/h2*2-5,8H,7H2,(H,17,18);1-4,7H,6H2,(H,16,17);2*2-5,7H,6H2,(H,16,17)
• InChIKey: PFKCOVHEXFBYFQ-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 239.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1522.52
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

The IUPAC name of 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile (CID 165048110) is 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile.

What is the SMILES notation for 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

The canonical SMILES for 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile is N#Cc1cc(NCc2cccs2)c2scc(Br)c2n1.[C-]#[N+]c1csc2c(NCc3ccco3)cc(C#N)nc12.[C-]#[N+]c1csc2c(NCc3ccco3)cc(Cl)nc12.[C-]#[N+]c1csc2c(NCc3cccs3)cc(C#N)nc12.[C-]#[N+]c1csc2c(NCc3cccs3)cc(Cl)nc12.

What is the InChIKey of 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

The InChIKey is PFKCOVHEXFBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4OS.C14H8N4S2.C13H8BrN3S2.C13H8ClN3OS.C13H8ClN3S2/c2*1-16-12-8-20-14-11(5-9(6-15)18-13(12)14)17-7-10-3-2-4-19-10;14-10-7-19-13-11(4-8(5-15)17-12(10)13)16-6-9-2-1-3-18-9;2*1-15-10-7-19-13-9(5-11(14)17-12(10)13)16-6-8-3-2-4-18-8/h2*2-5,8H,7H2,(H,17,18);1-4,7H,6H2,(H,16,17);2*2-5,7H,6H2,(H,16,17).

What are the key properties of 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile has a molecular weight of 1522.52 g/mol, XLogP of 22.80, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;5-chloro-N-(furan-2-ylmethyl)-3-isocyanothieno[3,2-b]pyridin-7-amine;5-chloro-3-isocyano-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;7-(furan-2-ylmethylamino)-3-isocyanothieno[3,2-b]pyridine-5-carbonitrile;3-isocyano-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 165048110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).