1-(5-methyl-1,3-thiazol-4-yl)ethanone

C6H7NOS — CID 23321332

IUPAC1-(5-methyl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1ncsc1C
InChIInChI=1S/C6H7NOS/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3
InChIKeyUFXXGLKLMLAWDQ-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.65
Rot. Bonds1

About 1-(5-methyl-1,3-thiazol-4-yl)ethanone

1-(5-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 23321332) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID23321332
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name1-(5-methyl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1ncsc1C
InChIInChI=1S/C6H7NOS/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3
InChIKeyUFXXGLKLMLAWDQ-UHFFFAOYSA-N
XLogP1.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-1,3-thiazol-4-yl)ethanone (CID 23321332) is 1-(5-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-4-yl)ethanone is CC(=O)c1ncsc1C.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is UFXXGLKLMLAWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-4(8)6-5(2)9-3-7-6/h3H,1-2H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-4-yl)ethanone?
1-(5-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 141.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 23321332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).