2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide

C9H6BrClN4OS — CID 62160793

IUPAC2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2ncc(Br)s2)cc(Cl)n1
InChIInChI=1S/C9H6BrClN4OS/c10-5-3-13-9(17-5)15-8(16)4-1-6(11)14-7(12)2-4/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyXADJMJRXBVPMJX-UHFFFAOYSA-N
MW333.60 g/mol
LogP2.79
Rot. Bonds2

About 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide

2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide (PubChem CID 62160793) has the molecular formula C9H6BrClN4OS and a molecular weight of 333.60 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide
PubChem CID62160793
Molecular FormulaC9H6BrClN4OS
Molecular Weight333.60 g/mol
Exact Mass331.91
IUPAC Name2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2ncc(Br)s2)cc(Cl)n1
InChIInChI=1S/C9H6BrClN4OS/c10-5-3-13-9(17-5)15-8(16)4-1-6(11)14-7(12)2-4/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyXADJMJRXBVPMJX-UHFFFAOYSA-N
XLogP2.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.60
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
2-amino-6-chloro-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 154842220
2-amino-N-(4-bromo-2,6-dichlorophenyl)-6-chloropyridine-4-carboxamide
CID 62155953
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 60784493
2-amino-6-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 113378971
2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
CID 81275531
6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62871680
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 107987897
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide (CID 62160793) is 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide is Nc1cc(C(=O)Nc2ncc(Br)s2)cc(Cl)n1.
What is the InChIKey of 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide?
The InChIKey is XADJMJRXBVPMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4OS/c10-5-3-13-9(17-5)15-8(16)4-1-6(11)14-7(12)2-4/h1-3H,(H2,12,14)(H,13,15,16).
What are the key properties of 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide?
2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide has a molecular weight of 333.60 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62160793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).