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

C17H16ClFN4O3S — CID 90449407

IUPAC5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
SMILESO=C(CO)N1CCC2(C1)CN(C(=O)Nc1ncc(F)s1)c1ccc(Cl)cc12
InChIInChI=1S/C17H16ClFN4O3S/c18-10-1-2-12-11(5-10)17(3-4-22(8-17)14(25)7-24)9-23(12)16(26)21-15-20-6-13(19)27-15/h1-2,5-6,24H,3-4,7-9H2,(H,20,21,26)
InChIKeyGNBDRWKJOHRTJT-UHFFFAOYSA-N
MW410.86 g/mol
LogP2.45
Rot. Bonds2

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

5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide (PubChem CID 90449407) has the molecular formula C17H16ClFN4O3S and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
PubChem CID90449407
Molecular FormulaC17H16ClFN4O3S
Molecular Weight410.86 g/mol
Exact Mass410.06
IUPAC Name5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
SMILESO=C(CO)N1CCC2(C1)CN(C(=O)Nc1ncc(F)s1)c1ccc(Cl)cc12
InChIInChI=1S/C17H16ClFN4O3S/c18-10-1-2-12-11(5-10)17(3-4-22(8-17)14(25)7-24)9-23(12)16(26)21-15-20-6-13(19)27-15/h1-2,5-6,24H,3-4,7-9H2,(H,20,21,26)
InChIKeyGNBDRWKJOHRTJT-UHFFFAOYSA-N
XLogP2.45
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?
The IUPAC name of 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide (CID 90449407) is 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?
The canonical SMILES for 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide is O=C(CO)N1CCC2(C1)CN(C(=O)Nc1ncc(F)s1)c1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?
The InChIKey is GNBDRWKJOHRTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O3S/c18-10-1-2-12-11(5-10)17(3-4-22(8-17)14(25)7-24)9-23(12)16(26)21-15-20-6-13(19)27-15/h1-2,5-6,24H,3-4,7-9H2,(H,20,21,26).
What are the key properties of 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide?
5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)-1'-(2-hydroxyacetyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide is sourced from PubChem (CID 90449407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).