5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C6H6N4O2S4 — CID 18708352

IUPAC5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)c1cnc(Sc2nnc(N)s2)s1
InChIInChI=1S/C6H6N4O2S4/c1-16(11,12)3-2-8-5(13-3)15-6-10-9-4(7)14-6/h2H,1H3,(H2,7,9)
InChIKeyCFXMTLUGAABAHM-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.13
Rot. Bonds3

About 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18708352) has the molecular formula C6H6N4O2S4 and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18708352
Molecular FormulaC6H6N4O2S4
Molecular Weight294.41 g/mol
Exact Mass293.94
IUPAC Name5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)c1cnc(Sc2nnc(N)s2)s1
InChIInChI=1S/C6H6N4O2S4/c1-16(11,12)3-2-8-5(13-3)15-6-10-9-4(7)14-6/h2H,1H3,(H2,7,9)
InChIKeyCFXMTLUGAABAHM-UHFFFAOYSA-N
XLogP1.13
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine 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 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 18708352) is 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CS(=O)(=O)c1cnc(Sc2nnc(N)s2)s1.
What is the InChIKey of 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CFXMTLUGAABAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S4/c1-16(11,12)3-2-8-5(13-3)15-6-10-9-4(7)14-6/h2H,1H3,(H2,7,9).
What are the key properties of 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 294.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18708352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).