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

C9H9N5O2S3 — CID 2198068

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1
InChIInChI=1S/C9H9N5O2S3/c1-5(15)11-8-13-14-9(19-8)18-4-6(16)12-7-10-2-3-17-7/h2-3H,4H2,1H3,(H,10,12,16)(H,11,13,15)
InChIKeyHXPVXZCCQNOYKP-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.68
Rot. Bonds5

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

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2198068) has the molecular formula C9H9N5O2S3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2198068
Molecular FormulaC9H9N5O2S3
Molecular Weight315.41 g/mol
Exact Mass314.99
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1
InChIInChI=1S/C9H9N5O2S3/c1-5(15)11-8-13-14-9(19-8)18-4-6(16)12-7-10-2-3-17-7/h2-3H,4H2,1H3,(H,10,12,16)(H,11,13,15)
InChIKeyHXPVXZCCQNOYKP-UHFFFAOYSA-N
XLogP1.68
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2198068) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HXPVXZCCQNOYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S3/c1-5(15)11-8-13-14-9(19-8)18-4-6(16)12-7-10-2-3-17-7/h2-3H,4H2,1H3,(H,10,12,16)(H,11,13,15).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 315.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2198068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).