4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one

C16H18N2O2S — CID 154745406

IUPAC4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2CCC2c2ccccc2)c1C
InChIInChI=1S/C16H18N2O2S/c1-11-12(2)21-16(20)18(11)10-15(19)17-9-8-14(17)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3
InChIKeyODHGTEOQFBELBY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.50
Rot. Bonds3

About 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one

4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 154745406) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one
PubChem CID154745406
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2CCC2c2ccccc2)c1C
InChIInChI=1S/C16H18N2O2S/c1-11-12(2)21-16(20)18(11)10-15(19)17-9-8-14(17)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3
InChIKeyODHGTEOQFBELBY-UHFFFAOYSA-N
XLogP2.50
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one (CID 154745406) is 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)N2CCC2c2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is ODHGTEOQFBELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-12(2)21-16(20)18(11)10-15(19)17-9-8-14(17)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one?
4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 302.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 154745406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).