3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

C19H24N2O2S — CID 122153153

IUPAC3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2CCC(c3ccccc3)C2(C)C)c1C
InChIInChI=1S/C19H24N2O2S/c1-13-14(2)24-18(23)20(13)12-17(22)21-11-10-16(19(21,3)4)15-8-6-5-7-9-15/h5-9,16H,10-12H2,1-4H3
InChIKeyYBYBTGQPZGRYMO-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.32
Rot. Bonds3

About 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 122153153) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID122153153
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2CCC(c3ccccc3)C2(C)C)c1C
InChIInChI=1S/C19H24N2O2S/c1-13-14(2)24-18(23)20(13)12-17(22)21-11-10-16(19(21,3)4)15-8-6-5-7-9-15/h5-9,16H,10-12H2,1-4H3
InChIKeyYBYBTGQPZGRYMO-UHFFFAOYSA-N
XLogP3.32
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 122153153) is 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)N2CCC(c3ccccc3)C2(C)C)c1C.
What is the InChIKey of 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is YBYBTGQPZGRYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-14(2)24-18(23)20(13)12-17(22)21-11-10-16(19(21,3)4)15-8-6-5-7-9-15/h5-9,16H,10-12H2,1-4H3.
What are the key properties of 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 344.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 122153153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).