5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide

C18H17Cl2N5O3S — CID 71523047

About 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide

5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide (PubChem CID 71523047) has the molecular formula C18H17Cl2N5O3S and a molecular weight of 454.34 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
• PubChem CID: 71523047
• Molecular Formula: C18H17Cl2N5O3S
• Molecular Weight: 454.34 g/mol
• Exact Mass: 453.04
• IUPAC Name: 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
• SMILES: CNC(=O)C(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc12
• InChI: InChI=1S/C18H17Cl2N5O3S/c1-21-14(26)15(27)24-5-4-18(8-24)9-25(12-3-2-10(19)6-11(12)18)17(28)23-16-22-7-13(20)29-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,21,26)(H,22,23,28)
• InChIKey: GOQYTTAARPDPDE-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.34
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?

The IUPAC name of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide (CID 71523047) is 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide.

What is the SMILES notation for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?

The canonical SMILES for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide is CNC(=O)C(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc12.

What is the InChIKey of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?

The InChIKey is GOQYTTAARPDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O3S/c1-21-14(26)15(27)24-5-4-18(8-24)9-25(12-3-2-10(19)6-11(12)18)17(28)23-16-22-7-13(20)29-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,21,26)(H,22,23,28).

What are the key properties of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?

5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide has a molecular weight of 454.34 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(methylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide is sourced from PubChem (CID 71523047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).