4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide

C14H16N2O2S2 — CID 2338838

IUPAC4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2C(=O)CSC2=S)cc1
InChIInChI=1S/C14H16N2O2S2/c1-14(2,3)10-6-4-9(5-7-10)12(18)15-16-11(17)8-20-13(16)19/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyOOMMKGOHXSIYHC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.49
Rot. Bonds2

About 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide

4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (PubChem CID 2338838) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
PubChem CID2338838
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2C(=O)CSC2=S)cc1
InChIInChI=1S/C14H16N2O2S2/c1-14(2,3)10-6-4-9(5-7-10)12(18)15-16-11(17)8-20-13(16)19/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyOOMMKGOHXSIYHC-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (CID 2338838) is 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)NN2C(=O)CSC2=S)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is OOMMKGOHXSIYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-14(2,3)10-6-4-9(5-7-10)12(18)15-16-11(17)8-20-13(16)19/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide has a molecular weight of 308.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 2338838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).