N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C9H8BrN3O2S — CID 43520475

IUPACN-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cccc(Br)n2)CS1
InChIInChI=1S/C9H8BrN3O2S/c10-6-2-1-3-7(12-6)13-8(14)5-4-16-9(15)11-5/h1-3,5H,4H2,(H,11,15)(H,12,13,14)
InChIKeyCSTUSSBAMPJKOM-UHFFFAOYSA-N
MW302.15 g/mol
LogP1.61
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 43520475) has the molecular formula C9H8BrN3O2S and a molecular weight of 302.15 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID43520475
Molecular FormulaC9H8BrN3O2S
Molecular Weight302.15 g/mol
Exact Mass300.95
IUPAC NameN-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cccc(Br)n2)CS1
InChIInChI=1S/C9H8BrN3O2S/c10-6-2-1-3-7(12-6)13-8(14)5-4-16-9(15)11-5/h1-3,5H,4H2,(H,11,15)(H,12,13,14)
InChIKeyCSTUSSBAMPJKOM-UHFFFAOYSA-N
XLogP1.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 43520512
N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
CID 140776721
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103909809
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 166772337
(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175857408
N-(6-bromo-2-pyridinyl)-4,4-dimethylpyrrolidine-2-carboxamide
CID 166772445
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(3-ethynylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864784
cyclobutyl N-(6-bromo-2-pyridinyl)carbamate
CID 130640494
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 43520475) is N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2cccc(Br)n2)CS1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is CSTUSSBAMPJKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S/c10-6-2-1-3-7(12-6)13-8(14)5-4-16-9(15)11-5/h1-3,5H,4H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 302.15 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43520475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).