2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C11H14N6O2S3 — CID 2982207

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)Nc2nnc(C(C)C)s2)s1
InChIInChI=1S/C11H14N6O2S3/c1-5(2)8-14-15-10(21-8)13-7(19)4-20-11-17-16-9(22-11)12-6(3)18/h5H,4H2,1-3H3,(H,12,16,18)(H,13,15,19)
InChIKeyCQUVOZTZWFEHFW-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.20
Rot. Bonds6

About 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2982207) has the molecular formula C11H14N6O2S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2982207
Molecular FormulaC11H14N6O2S3
Molecular Weight358.47 g/mol
Exact Mass358.03
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)Nc2nnc(C(C)C)s2)s1
InChIInChI=1S/C11H14N6O2S3/c1-5(2)8-14-15-10(21-8)13-7(19)4-20-11-17-16-9(22-11)12-6(3)18/h5H,4H2,1-3H3,(H,12,16,18)(H,13,15,19)
InChIKeyCQUVOZTZWFEHFW-UHFFFAOYSA-N
XLogP2.20
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2982207) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(SCC(=O)Nc2nnc(C(C)C)s2)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CQUVOZTZWFEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S3/c1-5(2)8-14-15-10(21-8)13-7(19)4-20-11-17-16-9(22-11)12-6(3)18/h5H,4H2,1-3H3,(H,12,16,18)(H,13,15,19).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2982207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).