4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one

C9H11NO2S — CID 83484951

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one
SMILESCc1nc(CC2COCC2=O)cs1
InChIInChI=1S/C9H11NO2S/c1-6-10-8(5-13-6)2-7-3-12-4-9(7)11/h5,7H,2-4H2,1H3
InChIKeyZQOUOZUJGIOFBS-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.21
Rot. Bonds2

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one

4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one (PubChem CID 83484951) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one
PubChem CID83484951
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one
SMILESCc1nc(CC2COCC2=O)cs1
InChIInChI=1S/C9H11NO2S/c1-6-10-8(5-13-6)2-7-3-12-4-9(7)11/h5,7H,2-4H2,1H3
InChIKeyZQOUOZUJGIOFBS-UHFFFAOYSA-N
XLogP1.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one (CID 83484951) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one is Cc1nc(CC2COCC2=O)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one?
The InChIKey is ZQOUOZUJGIOFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-10-8(5-13-6)2-7-3-12-4-9(7)11/h5,7H,2-4H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one has a molecular weight of 197.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-one is sourced from PubChem (CID 83484951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).