2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide

C16H22N2O2S — CID 24711916

IUPAC2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CSC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)12-7-5-11(6-8-12)15-18(9-13(19)17-4)14(20)10-21-15/h5-8,15H,9-10H2,1-4H3,(H,17,19)
InChIKeyIOYOYCGSSCRQNG-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.30
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide

2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide (PubChem CID 24711916) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide
PubChem CID24711916
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CSC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)12-7-5-11(6-8-12)15-18(9-13(19)17-4)14(20)10-21-15/h5-8,15H,9-10H2,1-4H3,(H,17,19)
InChIKeyIOYOYCGSSCRQNG-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide (CID 24711916) is 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide is CNC(=O)CN1C(=O)CSC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide?
The InChIKey is IOYOYCGSSCRQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(2,3)12-7-5-11(6-8-12)15-18(9-13(19)17-4)14(20)10-21-15/h5-8,15H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide?
2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide has a molecular weight of 306.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 24711916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).