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

C9H8N2OS2 — CID 130848604

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ncc(C)s2)s1
InChIInChI=1S/C9H8N2OS2/c1-5-3-10-8(13-5)9-11-4-7(14-9)6(2)12/h3-4H,1-2H3
InChIKeyXHRQYEYAOFRZSM-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.78
Rot. Bonds2

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

1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 130848604) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID130848604
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ncc(C)s2)s1
InChIInChI=1S/C9H8N2OS2/c1-5-3-10-8(13-5)9-11-4-7(14-9)6(2)12/h3-4H,1-2H3
InChIKeyXHRQYEYAOFRZSM-UHFFFAOYSA-N
XLogP2.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
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1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
CID 115091217
1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide
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1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone
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N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
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1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone (CID 130848604) is 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2ncc(C)s2)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is XHRQYEYAOFRZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-3-10-8(13-5)9-11-4-7(14-9)6(2)12/h3-4H,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 224.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 130848604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).