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

C9H10BrN3OS — CID 110672131

IUPACN-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1CSCN1
InChIInChI=1S/C9H10BrN3OS/c10-8-2-1-6(3-11-8)13-9(14)7-4-15-5-12-7/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyAYMYCAGFVXJJRR-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.45
Rot. Bonds2

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

N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 110672131) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
PubChem CID110672131
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC NameN-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1CSCN1
InChIInChI=1S/C9H10BrN3OS/c10-8-2-1-6(3-11-8)13-9(14)7-4-15-5-12-7/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyAYMYCAGFVXJJRR-UHFFFAOYSA-N
XLogP1.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
CID 82817480
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
CID 43698331
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697835
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210
(4S)-N-thiophen-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326722

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide (CID 110672131) is N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(Br)nc1)C1CSCN1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is AYMYCAGFVXJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c10-8-2-1-6(3-11-8)13-9(14)7-4-15-5-12-7/h1-3,7,12H,4-5H2,(H,13,14).
What are the key properties of N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide?
N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 288.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110672131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).