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

C12H15ClN2OS — CID 90484191

IUPAC1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCC(=O)c1sc(-c2ccc(C)n2C)nc1C.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-7-5-6-10(14(7)4)12-13-8(2)11(16-12)9(3)15;/h5-6H,1-4H3;1H
InChIKeyVKQMYFTYRDCFKS-UHFFFAOYSA-N
MW270.79 g/mol
LogP3.39
Rot. Bonds2

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

1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride (PubChem CID 90484191) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
PubChem CID90484191
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCC(=O)c1sc(-c2ccc(C)n2C)nc1C.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-7-5-6-10(14(7)4)12-13-8(2)11(16-12)9(3)15;/h5-6H,1-4H3;1H
InChIKeyVKQMYFTYRDCFKS-UHFFFAOYSA-N
XLogP3.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-oxoacetic acid
CID 19616915
1-[4-methyl-2-(2-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 114554206
1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
CID 66647115
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride (CID 90484191) is 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride is CC(=O)c1sc(-c2ccc(C)n2C)nc1C.Cl.
What is the InChIKey of 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The InChIKey is VKQMYFTYRDCFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.ClH/c1-7-5-6-10(14(7)4)12-13-8(2)11(16-12)9(3)15;/h5-6H,1-4H3;1H.
What are the key properties of 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride has a molecular weight of 270.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride is sourced from PubChem (CID 90484191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).