5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole

C9H14N4S — CID 66212804

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C9H14N4S/c1-6-11-9(14-12-6)13-4-7-2-10-3-8(7)5-13/h7-8,10H,2-5H2,1H3
InChIKeyCUHMXDMCFSRJGI-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.50
Rot. Bonds1

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 66212804) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID66212804
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C9H14N4S/c1-6-11-9(14-12-6)13-4-7-2-10-3-8(7)5-13/h7-8,10H,2-5H2,1H3
InChIKeyCUHMXDMCFSRJGI-UHFFFAOYSA-N
XLogP0.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole 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-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole (CID 66212804) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CC3CNCC3C2)n1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is CUHMXDMCFSRJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-6-11-9(14-12-6)13-4-7-2-10-3-8(7)5-13/h7-8,10H,2-5H2,1H3.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 210.31 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 66212804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).