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

C11H9N5OS2 — CID 2162574

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H9N5OS2/c12-5-7-3-1-2-4-8(7)14-9(17)6-18-11-16-15-10(13)19-11/h1-4H,6H2,(H2,13,15)(H,14,17)
InChIKeyZZLUSIXEFPNPSS-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.72
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide (PubChem CID 2162574) has the molecular formula C11H9N5OS2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
PubChem CID2162574
Molecular FormulaC11H9N5OS2
Molecular Weight291.36 g/mol
Exact Mass291.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H9N5OS2/c12-5-7-3-1-2-4-8(7)14-9(17)6-18-11-16-15-10(13)19-11/h1-4H,6H2,(H2,13,15)(H,14,17)
InChIKeyZZLUSIXEFPNPSS-UHFFFAOYSA-N
XLogP1.72
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide (CID 2162574) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The InChIKey is ZZLUSIXEFPNPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS2/c12-5-7-3-1-2-4-8(7)14-9(17)6-18-11-16-15-10(13)19-11/h1-4H,6H2,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide has a molecular weight of 291.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2162574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).