(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone

C9H5BrN2OS — CID 130988850

IUPAC(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone
SMILESO=C(c1ccc(Br)cn1)c1ccns1
InChIInChI=1S/C9H5BrN2OS/c10-6-1-2-7(11-5-6)9(13)8-3-4-12-14-8/h1-5H
InChIKeyAULCKCARAWOSIP-UHFFFAOYSA-N
MW269.12 g/mol
LogP2.53
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone

(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone (PubChem CID 130988850) has the molecular formula C9H5BrN2OS and a molecular weight of 269.12 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone
PubChem CID130988850
Molecular FormulaC9H5BrN2OS
Molecular Weight269.12 g/mol
Exact Mass267.93
IUPAC Name(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone
SMILESO=C(c1ccc(Br)cn1)c1ccns1
InChIInChI=1S/C9H5BrN2OS/c10-6-1-2-7(11-5-6)9(13)8-3-4-12-14-8/h1-5H
InChIKeyAULCKCARAWOSIP-UHFFFAOYSA-N
XLogP2.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
CID 130602508
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid
CID 175111598
methyl 5-bromopyridine-2-carboxylate
CID 7016458
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
4-(5-bromo-2-pyridinyl)-2,4-dioxobutanoic acid
CID 151174213
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 55153618
5-bromo-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 55209020
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone (CID 130988850) is (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone is O=C(c1ccc(Br)cn1)c1ccns1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone?
The InChIKey is AULCKCARAWOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2OS/c10-6-1-2-7(11-5-6)9(13)8-3-4-12-14-8/h1-5H.
What are the key properties of (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone?
(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone has a molecular weight of 269.12 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 130988850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).