1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide

C11H12BrN3OS — CID 6602572

IUPAC1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide
SMILESBr.CC(=O)c1sc(Nc2ccccn2)nc1C
InChIInChI=1S/C11H11N3OS.BrH/c1-7-10(8(2)15)16-11(13-7)14-9-5-3-4-6-12-9;/h3-6H,1-2H3,(H,12,13,14);1H
InChIKeyLQSKVDYJLIVJOR-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide

1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide (PubChem CID 6602572) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide
PubChem CID6602572
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide
SMILESBr.CC(=O)c1sc(Nc2ccccn2)nc1C
InChIInChI=1S/C11H11N3OS.BrH/c1-7-10(8(2)15)16-11(13-7)14-9-5-3-4-6-12-9;/h3-6H,1-2H3,(H,12,13,14);1H
InChIKeyLQSKVDYJLIVJOR-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
The IUPAC name of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide (CID 6602572) is 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide.
What is the SMILES notation for 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
The canonical SMILES for 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide is Br.CC(=O)c1sc(Nc2ccccn2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
The InChIKey is LQSKVDYJLIVJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS.BrH/c1-7-10(8(2)15)16-11(13-7)14-9-5-3-4-6-12-9;/h3-6H,1-2H3,(H,12,13,14);1H.
What are the key properties of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide has a molecular weight of 314.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrobromide is sourced from PubChem (CID 6602572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).