1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one

C12H23NOS — CID 155249119

IUPAC1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@H]1N(C(C)C)CSC1(C)C
InChIInChI=1S/C12H23NOS/c1-8(2)10(14)11-12(5,6)15-7-13(11)9(3)4/h8-9,11H,7H2,1-6H3/t11-/m1/s1
InChIKeyZTAVSKYXWLDVPT-LLVKDONJSA-N
MW229.39 g/mol
LogP2.77
Rot. Bonds3

About 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one

1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one (PubChem CID 155249119) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one
PubChem CID155249119
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@H]1N(C(C)C)CSC1(C)C
InChIInChI=1S/C12H23NOS/c1-8(2)10(14)11-12(5,6)15-7-13(11)9(3)4/h8-9,11H,7H2,1-6H3/t11-/m1/s1
InChIKeyZTAVSKYXWLDVPT-LLVKDONJSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one (CID 155249119) is 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one is CC(C)C(=O)[C@H]1N(C(C)C)CSC1(C)C.
What is the InChIKey of 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one?
The InChIKey is ZTAVSKYXWLDVPT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NOS/c1-8(2)10(14)11-12(5,6)15-7-13(11)9(3)4/h8-9,11H,7H2,1-6H3/t11-/m1/s1.
What are the key properties of 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one?
1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one has a molecular weight of 229.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 155249119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).