2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone

C12H17NO2S — CID 115789380

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCc1nc(CC(=O)C2OCCC2C)sc1C
InChIInChI=1S/C12H17NO2S/c1-7-4-5-15-12(7)10(14)6-11-13-8(2)9(3)16-11/h7,12H,4-6H2,1-3H3
InChIKeyHDYPGIHVRNLSAT-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.30
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone (PubChem CID 115789380) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone
PubChem CID115789380
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCc1nc(CC(=O)C2OCCC2C)sc1C
InChIInChI=1S/C12H17NO2S/c1-7-4-5-15-12(7)10(14)6-11-13-8(2)9(3)16-11/h7,12H,4-6H2,1-3H3
InChIKeyHDYPGIHVRNLSAT-UHFFFAOYSA-N
XLogP2.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone (CID 115789380) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone is Cc1nc(CC(=O)C2OCCC2C)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
The InChIKey is HDYPGIHVRNLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-7-4-5-15-12(7)10(14)6-11-13-8(2)9(3)16-11/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone has a molecular weight of 239.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 115789380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).