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

C11H12ClN3OS — CID 47007245

IUPAC1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCC(=O)c1sc(Nc2ccccn2)nc1C.Cl
InChIInChI=1S/C11H11N3OS.ClH/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
InChIKeyJGUVYMLMOYABAG-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.21
Rot. Bonds3

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

1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride (PubChem CID 47007245) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride
PubChem CID47007245
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCC(=O)c1sc(Nc2ccccn2)nc1C.Cl
InChIInChI=1S/C11H11N3OS.ClH/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
InChIKeyJGUVYMLMOYABAG-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride (CID 47007245) is 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride is CC(=O)c1sc(Nc2ccccn2)nc1C.Cl.
What is the InChIKey of 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride?
The InChIKey is JGUVYMLMOYABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS.ClH/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;hydrochloride?
1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone;hydrochloride has a molecular weight of 269.76 g/mol, XLogP of 3.21, 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;hydrochloride is sourced from PubChem (CID 47007245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).