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

C7H11NOS — CID 20781366

IUPAC1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)C1SC(C)=NC1C
InChIInChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h4,7H,1-3H3
InChIKeyHWILIOBILHSJPB-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.50
Rot. Bonds1

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

1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone (PubChem CID 20781366) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
PubChem CID20781366
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)C1SC(C)=NC1C
InChIInChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h4,7H,1-3H3
InChIKeyHWILIOBILHSJPB-UHFFFAOYSA-N
XLogP1.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone (CID 20781366) is 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone is CC(=O)C1SC(C)=NC1C.
What is the InChIKey of 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
The InChIKey is HWILIOBILHSJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h4,7H,1-3H3.
What are the key properties of 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone?
1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone has a molecular weight of 157.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 20781366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).