N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide

C8H8N6O2S3 — CID 2721168

IUPACN-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1Sc1snnc1C(=O)NC
InChIInChI=1S/C8H8N6O2S3/c1-9-5(15)3-7(18-13-11-3)17-8-4(6(16)10-2)12-14-19-8/h1-2H3,(H,9,15)(H,10,16)
InChIKeyAGGLEZFSTCEOTM-UHFFFAOYSA-N
MW316.39 g/mol
LogP0.26
Rot. Bonds4

About N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide

N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide (PubChem CID 2721168) has the molecular formula C8H8N6O2S3 and a molecular weight of 316.39 g/mol. Its IUPAC name is N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide
PubChem CID2721168
Molecular FormulaC8H8N6O2S3
Molecular Weight316.39 g/mol
Exact Mass315.99
IUPAC NameN-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1Sc1snnc1C(=O)NC
InChIInChI=1S/C8H8N6O2S3/c1-9-5(15)3-7(18-13-11-3)17-8-4(6(16)10-2)12-14-19-8/h1-2H3,(H,9,15)(H,10,16)
InChIKeyAGGLEZFSTCEOTM-UHFFFAOYSA-N
XLogP0.26
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide 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-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide?
The IUPAC name of N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide (CID 2721168) is N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1Sc1snnc1C(=O)NC.
What is the InChIKey of N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide?
The InChIKey is AGGLEZFSTCEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2S3/c1-9-5(15)3-7(18-13-11-3)17-8-4(6(16)10-2)12-14-19-8/h1-2H3,(H,9,15)(H,10,16).
What are the key properties of N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide?
N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide is sourced from PubChem (CID 2721168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).