N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide

C6H10N4OS2 — CID 163486091

IUPACN-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESC/C=S(/N)c1nnc(NC(C)=O)s1
InChIInChI=1S/C6H10N4OS2/c1-3-13(7)6-10-9-5(12-6)8-4(2)11/h3H,7H2,1-2H3,(H,8,9,11)
InChIKeyCIRCNDYFYMNHSY-UHFFFAOYSA-N
MW218.31 g/mol
LogP0.82
Rot. Bonds2

About N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 163486091) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID163486091
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC NameN-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESC/C=S(/N)c1nnc(NC(C)=O)s1
InChIInChI=1S/C6H10N4OS2/c1-3-13(7)6-10-9-5(12-6)8-4(2)11/h3H,7H2,1-2H3,(H,8,9,11)
InChIKeyCIRCNDYFYMNHSY-UHFFFAOYSA-N
XLogP0.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-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 N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 163486091) is N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is C/C=S(/N)c1nnc(NC(C)=O)s1.
What is the InChIKey of N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is CIRCNDYFYMNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-3-13(7)6-10-9-5(12-6)8-4(2)11/h3H,7H2,1-2H3,(H,8,9,11).
What are the key properties of N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 218.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-amino(ethylidene)-λ4-sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 163486091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).