1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one

C15H21NOS — CID 42781111

IUPAC1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
SMILESCc1ccc(C2SCCN2C(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H21NOS/c1-10(2)14(17)16-7-8-18-15(16)13-6-5-11(3)9-12(13)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyRSJNWRZSYBOTMZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.53
Rot. Bonds2

About 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one

1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one (PubChem CID 42781111) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
PubChem CID42781111
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
SMILESCc1ccc(C2SCCN2C(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H21NOS/c1-10(2)14(17)16-7-8-18-15(16)13-6-5-11(3)9-12(13)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyRSJNWRZSYBOTMZ-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one (CID 42781111) is 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one is Cc1ccc(C2SCCN2C(=O)C(C)C)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one?
The InChIKey is RSJNWRZSYBOTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10(2)14(17)16-7-8-18-15(16)13-6-5-11(3)9-12(13)4/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one?
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one has a molecular weight of 263.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 42781111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).