2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C10H12N4O3S2 — CID 34055131

IUPAC2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)C[C@@H]2SC(=O)NC2=O)s1
InChIInChI=1S/C10H12N4O3S2/c1-4(2)8-13-14-9(19-8)11-6(15)3-5-7(16)12-10(17)18-5/h4-5H,3H2,1-2H3,(H,11,14,15)(H,12,16,17)/t5-/m0/s1
InChIKeyBNWZGAAEKMVQPD-YFKPBYRVSA-N
MW300.37 g/mol
LogP1.34
Rot. Bonds4

About 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 34055131) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID34055131
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)C[C@@H]2SC(=O)NC2=O)s1
InChIInChI=1S/C10H12N4O3S2/c1-4(2)8-13-14-9(19-8)11-6(15)3-5-7(16)12-10(17)18-5/h4-5H,3H2,1-2H3,(H,11,14,15)(H,12,16,17)/t5-/m0/s1
InChIKeyBNWZGAAEKMVQPD-YFKPBYRVSA-N
XLogP1.34
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide 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 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 34055131) is 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)C[C@@H]2SC(=O)NC2=O)s1.
What is the InChIKey of 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BNWZGAAEKMVQPD-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-4(2)8-13-14-9(19-8)11-6(15)3-5-7(16)12-10(17)18-5/h4-5H,3H2,1-2H3,(H,11,14,15)(H,12,16,17)/t5-/m0/s1.
What are the key properties of 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 34055131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).