N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C17H15BrN4O3S2 — CID 5309893

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H15BrN4O3S2/c18-14-10-20-17(26-14)21-16(23)12-6-3-9-22(12)27(24,25)13-7-1-4-11-5-2-8-19-15(11)13/h1-2,4-5,7-8,10,12H,3,6,9H2,(H,20,21,23)
InChIKeyKSEVNQBJLAZQKM-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.25
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 5309893) has the molecular formula C17H15BrN4O3S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID5309893
Molecular FormulaC17H15BrN4O3S2
Molecular Weight467.37 g/mol
Exact Mass465.98
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H15BrN4O3S2/c18-14-10-20-17(26-14)21-16(23)12-6-3-9-22(12)27(24,25)13-7-1-4-11-5-2-8-19-15(11)13/h1-2,4-5,7-8,10,12H,3,6,9H2,(H,20,21,23)
InChIKeyKSEVNQBJLAZQKM-UHFFFAOYSA-N
XLogP3.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-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 N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 5309893) is N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1ncc(Br)s1)C1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is KSEVNQBJLAZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S2/c18-14-10-20-17(26-14)21-16(23)12-6-3-9-22(12)27(24,25)13-7-1-4-11-5-2-8-19-15(11)13/h1-2,4-5,7-8,10,12H,3,6,9H2,(H,20,21,23).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5309893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).