N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine

C73H46Cl2N26O22S8 — CID 172985455

About N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine

N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 172985455) has the molecular formula C73H46Cl2N26O22S8 and a molecular weight of 1966.77 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
• PubChem CID: 172985455
• Molecular Formula: C73H46Cl2N26O22S8
• Molecular Weight: 1966.77 g/mol
• Exact Mass: 1964.04
• IUPAC Name: N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
• SMILES: Cc1ccc2nc(NNC(=O)c3ccc([N+](=O)[O-])o3)sc2c1.O=C(NNc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1.O=[N+]([O-])c1ccc(/C=N\Nc2nc3ccc(Cl)cc3s2)o1.O=[N+]([O-])c1ccc(/C=N\Nc2nc3ccc(Cl)cc3s2)s1.O=[N+]([O-])c1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])o3)sc2c1.O=[N+]([O-])c1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])s3)sc2c1
• InChI: InChI=1S/C13H10N4O4S.C12H7ClN4O3S.C12H7ClN4O2S2.C12H7N5O5S.C12H7N5O4S2.C12H8N4O4S/c1-7-2-3-8-10(6-7)22-13(14-8)16-15-12(18)9-4-5-11(21-9)17(19)20;2*13-7-1-3-9-10(5-7)21-12(15-9)16-14-6-8-2-4-11(20-8)17(18)19;2*18-16(19)7-1-3-9-10(5-7)23-12(14-9)15-13-6-8-2-4-11(22-8)17(20)21;17-11(8-5-6-10(20-8)16(18)19)14-15-12-13-7-3-1-2-4-9(7)21-12/h2-6H,1H3,(H,14,16)(H,15,18);2*1-6H,(H,15,16);2*1-6H,(H,14,15);1-6H,(H,13,15)(H,14,17)/b;2*14-6-;2*13-6-
• InChIKey: LIFPIFCFRKEHCO-OLCZPZDLSA-N
• XLogP: 20.45
• TPSA: 654.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.77
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine?

The IUPAC name of N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine (CID 172985455) is N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine.

What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine?

The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine is Cc1ccc2nc(NNC(=O)c3ccc([N+](=O)[O-])o3)sc2c1.O=C(NNc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1.O=[N+]([O-])c1ccc(/C=N\Nc2nc3ccc(Cl)cc3s2)o1.O=[N+]([O-])c1ccc(/C=N\Nc2nc3ccc(Cl)cc3s2)s1.O=[N+]([O-])c1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])o3)sc2c1.O=[N+]([O-])c1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])s3)sc2c1.

What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine?

The InChIKey is LIFPIFCFRKEHCO-OLCZPZDLSA-N. The full InChI is InChI=1S/C13H10N4O4S.C12H7ClN4O3S.C12H7ClN4O2S2.C12H7N5O5S.C12H7N5O4S2.C12H8N4O4S/c1-7-2-3-8-10(6-7)22-13(14-8)16-15-12(18)9-4-5-11(21-9)17(19)20;2*13-7-1-3-9-10(5-7)21-12(15-9)16-14-6-8-2-4-11(20-8)17(18)19;2*18-16(19)7-1-3-9-10(5-7)23-12(14-9)15-13-6-8-2-4-11(22-8)17(20)21;17-11(8-5-6-10(20-8)16(18)19)14-15-12-13-7-3-1-2-4-9(7)21-12/h2-6H,1H3,(H,14,16)(H,15,18);2*1-6H,(H,15,16);2*1-6H,(H,14,15);1-6H,(H,13,15)(H,14,17)/b;2*14-6-;2*13-6-;.

What are the key properties of N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine?

N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 1966.77 g/mol, XLogP of 20.45, 26 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;N'-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carbohydrazide;6-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine;6-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 172985455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).