N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide

C9H6BrN3OS — CID 103789386

IUPACN-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1cncs1
InChIInChI=1S/C9H6BrN3OS/c10-8-2-1-6(3-12-8)13-9(14)7-4-11-5-15-7/h1-5H,(H,13,14)
InChIKeyUJBATUUVBTYKSX-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.55
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide

N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 103789386) has the molecular formula C9H6BrN3OS and a molecular weight of 284.14 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID103789386
Molecular FormulaC9H6BrN3OS
Molecular Weight284.14 g/mol
Exact Mass282.94
IUPAC NameN-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1cncs1
InChIInChI=1S/C9H6BrN3OS/c10-8-2-1-6(3-12-8)13-9(14)7-4-11-5-15-7/h1-5H,(H,13,14)
InChIKeyUJBATUUVBTYKSX-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
CID 114030968
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 113222078
N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
CID 103789352
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 103789326
N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 150699383
N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 130841000
4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030924
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 103789386) is N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Br)nc1)c1cncs1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UJBATUUVBTYKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS/c10-8-2-1-6(3-12-8)13-9(14)7-4-11-5-15-7/h1-5H,(H,13,14).
What are the key properties of N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103789386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).