(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone

C10H7BrN2OS — CID 166910014

IUPAC(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2cccc(Br)n2)cs1
InChIInChI=1S/C10H7BrN2OS/c1-6-12-8(5-15-6)10(14)7-3-2-4-9(11)13-7/h2-5H,1H3
InChIKeyJQBRQZBRVWCSEI-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.84
Rot. Bonds2

About (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone

(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 166910014) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID166910014
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2cccc(Br)n2)cs1
InChIInChI=1S/C10H7BrN2OS/c1-6-12-8(5-15-6)10(14)7-3-2-4-9(11)13-7/h2-5H,1H3
InChIKeyJQBRQZBRVWCSEI-UHFFFAOYSA-N
XLogP2.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079830
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105101678
(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone
CID 44606028
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
CID 105085451
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105078985
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
bis(6-propan-2-yl-2-pyridinyl)methanone
CID 150446878
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 166910014) is (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2cccc(Br)n2)cs1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is JQBRQZBRVWCSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c1-6-12-8(5-15-6)10(14)7-3-2-4-9(11)13-7/h2-5H,1H3.
What are the key properties of (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 283.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 166910014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).