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

C10H13NO2S — CID 64543608

IUPAC1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CC2CCCO2)n1
InChIInChI=1S/C10H13NO2S/c1-7(12)9-6-14-10(11-9)5-8-3-2-4-13-8/h6,8H,2-5H2,1H3
InChIKeyYWXXIWSNRUPZNC-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.07
Rot. Bonds3

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

1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543608) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64543608
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CC2CCCO2)n1
InChIInChI=1S/C10H13NO2S/c1-7(12)9-6-14-10(11-9)5-8-3-2-4-13-8/h6,8H,2-5H2,1H3
InChIKeyYWXXIWSNRUPZNC-UHFFFAOYSA-N
XLogP2.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone (CID 64543608) is 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CC2CCCO2)n1.
What is the InChIKey of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is YWXXIWSNRUPZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(12)9-6-14-10(11-9)5-8-3-2-4-13-8/h6,8H,2-5H2,1H3.
What are the key properties of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).