5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide

C18H19Cl2N5O3S — CID 90449563

IUPAC5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
SMILESO=C(NCCO)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc12
InChIInChI=1S/C18H19Cl2N5O3S/c19-11-1-2-13-12(7-11)18(3-5-24(9-18)16(27)21-4-6-26)10-25(13)17(28)23-15-22-8-14(20)29-15/h1-2,7-8,26H,3-6,9-10H2,(H,21,27)(H,22,23,28)
InChIKeyZYNMQJKIJYTMIH-UHFFFAOYSA-N
MW456.36 g/mol
LogP3.15
Rot. Bonds3

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

5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide (PubChem CID 90449563) has the molecular formula C18H19Cl2N5O3S and a molecular weight of 456.36 g/mol. Its IUPAC name is 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide.

Molecular Properties

Compound Name5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
PubChem CID90449563
Molecular FormulaC18H19Cl2N5O3S
Molecular Weight456.36 g/mol
Exact Mass455.06
IUPAC Name5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
SMILESO=C(NCCO)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc12
InChIInChI=1S/C18H19Cl2N5O3S/c19-11-1-2-13-12(7-11)18(3-5-24(9-18)16(27)21-4-6-26)10-25(13)17(28)23-15-22-8-14(20)29-15/h1-2,7-8,26H,3-6,9-10H2,(H,21,27)(H,22,23,28)
InChIKeyZYNMQJKIJYTMIH-UHFFFAOYSA-N
XLogP3.15
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
The IUPAC name of 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide (CID 90449563) is 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide.
What is the SMILES notation for 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
The canonical SMILES for 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide is O=C(NCCO)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
The InChIKey is ZYNMQJKIJYTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O3S/c19-11-1-2-13-12(7-11)18(3-5-24(9-18)16(27)21-4-6-26)10-25(13)17(28)23-15-22-8-14(20)29-15/h1-2,7-8,26H,3-6,9-10H2,(H,21,27)(H,22,23,28).
What are the key properties of 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide has a molecular weight of 456.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(5-chloro-1,3-thiazol-2-yl)-1-N'-(2-hydroxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide is sourced from PubChem (CID 90449563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).