5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one

C8H9NO2S — CID 103439880

IUPAC5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one
SMILESCc1csc(C2CCC(=O)O2)n1
InChIInChI=1S/C8H9NO2S/c1-5-4-12-8(9-5)6-2-3-7(10)11-6/h4,6H,2-3H2,1H3
InChIKeyHDDQDWJURUHHMQ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.83
Rot. Bonds1

About 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one

5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one (PubChem CID 103439880) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one
PubChem CID103439880
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one
SMILESCc1csc(C2CCC(=O)O2)n1
InChIInChI=1S/C8H9NO2S/c1-5-4-12-8(9-5)6-2-3-7(10)11-6/h4,6H,2-3H2,1H3
InChIKeyHDDQDWJURUHHMQ-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 141271685
2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one
CID 104772323
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
ethane;4-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 142081571
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
CID 167193666
2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386037
5-phenyloxolan-2-one
CID 13884
3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperidine-2,6-dione
CID 104772126
6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714492

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one?
The IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one (CID 103439880) is 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one.
What is the SMILES notation for 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one?
The canonical SMILES for 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one is Cc1csc(C2CCC(=O)O2)n1.
What is the InChIKey of 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one?
The InChIKey is HDDQDWJURUHHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-5-4-12-8(9-5)6-2-3-7(10)11-6/h4,6H,2-3H2,1H3.
What are the key properties of 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one?
5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one has a molecular weight of 183.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one is sourced from PubChem (CID 103439880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).