1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

C11H13N3OS — CID 45035351

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C11H13N3OS/c1-6-5-7(2)14(13-6)11-12-8(3)10(16-11)9(4)15/h5H,1-4H3
InChIKeyKPWLAZSJAFLTIE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.46
Rot. Bonds2

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

1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 45035351) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID45035351
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C11H13N3OS/c1-6-5-7(2)14(13-6)11-12-8(3)10(16-11)9(4)15/h5H,1-4H3
InChIKeyKPWLAZSJAFLTIE-UHFFFAOYSA-N
XLogP2.46
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 45035351) is 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-n2nc(C)cc2C)nc1C.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is KPWLAZSJAFLTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-5-7(2)14(13-6)11-12-8(3)10(16-11)9(4)15/h5H,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 235.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 45035351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).