2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide

C5H8N4O3S2 — CID 48969555

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide
SMILESCNc1nnc(S(=O)(=O)CC(N)=O)s1
InChIInChI=1S/C5H8N4O3S2/c1-7-4-8-9-5(13-4)14(11,12)2-3(6)10/h2H2,1H3,(H2,6,10)(H,7,8)
InChIKeyNAIXXEUGWKPBHU-UHFFFAOYSA-N
MW236.28 g/mol
LogP-1.16
Rot. Bonds4

About 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide

2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide (PubChem CID 48969555) has the molecular formula C5H8N4O3S2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide
PubChem CID48969555
Molecular FormulaC5H8N4O3S2
Molecular Weight236.28 g/mol
Exact Mass236.00
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide
SMILESCNc1nnc(S(=O)(=O)CC(N)=O)s1
InChIInChI=1S/C5H8N4O3S2/c1-7-4-8-9-5(13-4)14(11,12)2-3(6)10/h2H2,1H3,(H2,6,10)(H,7,8)
InChIKeyNAIXXEUGWKPBHU-UHFFFAOYSA-N
XLogP-1.16
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]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 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide (CID 48969555) is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide is CNc1nnc(S(=O)(=O)CC(N)=O)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide?
The InChIKey is NAIXXEUGWKPBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3S2/c1-7-4-8-9-5(13-4)14(11,12)2-3(6)10/h2H2,1H3,(H2,6,10)(H,7,8).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide?
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide has a molecular weight of 236.28 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide is sourced from PubChem (CID 48969555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).