2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C13H12N4O2S2 — CID 26708775

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCSC1=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H12N4O2S2/c18-10(8-17-6-7-20-13(17)19)14-12-16-15-11(21-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,16,18)
InChIKeyUNWSAZJBNWVVGM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 26708775) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID26708775
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCSC1=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H12N4O2S2/c18-10(8-17-6-7-20-13(17)19)14-12-16-15-11(21-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,16,18)
InChIKeyUNWSAZJBNWVVGM-UHFFFAOYSA-N
XLogP2.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55978389
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 47118630
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20972511
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 35569050
2-(2-oxoquinoxalin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991608
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 26708775) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCSC1=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UNWSAZJBNWVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c18-10(8-17-6-7-20-13(17)19)14-12-16-15-11(21-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,16,18).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 26708775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).