1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone

C9H9N3OS — CID 65198190

IUPAC1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccn(C)n2)n1
InChIInChI=1S/C9H9N3OS/c1-6(13)8-5-14-9(10-8)7-3-4-12(2)11-7/h3-5H,1-2H3
InChIKeyGLQZGOHDTJSQJJ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.75
Rot. Bonds2

About 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 65198190) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID65198190
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccn(C)n2)n1
InChIInChI=1S/C9H9N3OS/c1-6(13)8-5-14-9(10-8)7-3-4-12(2)11-7/h3-5H,1-2H3
InChIKeyGLQZGOHDTJSQJJ-UHFFFAOYSA-N
XLogP1.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
CID 83091593
2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
CID 125449136
1-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
CID 79712444
1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 2745414
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide
CID 146104676
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2,5-dimethyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 139017319
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543606
1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
CID 136984683
1-[(1S)-1-cyclopropylethyl]-3-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]urea
CID 178134749
1-(2-quinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 64542810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone (CID 65198190) is 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccn(C)n2)n1.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GLQZGOHDTJSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6(13)8-5-14-9(10-8)7-3-4-12(2)11-7/h3-5H,1-2H3.
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 207.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 65198190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).