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

C10H10BrN3O2S — CID 103909809

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C10H10BrN3O2S/c1-5-6(2-3-8(11)12-5)13-9(15)7-4-17-10(16)14-7/h2-3,7H,4H2,1H3,(H,13,15)(H,14,16)
InChIKeyNHCCABYMULBJNO-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.92
Rot. Bonds2

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

N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 103909809) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID103909809
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C10H10BrN3O2S/c1-5-6(2-3-8(11)12-5)13-9(15)7-4-17-10(16)14-7/h2-3,7H,4H2,1H3,(H,13,15)(H,14,16)
InChIKeyNHCCABYMULBJNO-UHFFFAOYSA-N
XLogP1.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 51.92
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)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43520475
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 114050908
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 54963556
3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
CID 141355361
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60805013
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 103909809) is N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide is Cc1nc(Br)ccc1NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is NHCCABYMULBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c1-5-6(2-3-8(11)12-5)13-9(15)7-4-17-10(16)14-7/h2-3,7H,4H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 316.18 g/mol, XLogP of 1.92, 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-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103909809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).