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

C11H18N4S — CID 66210480

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C11H18N4S/c1-2-3-10-13-11(16-14-10)15-6-8-4-12-5-9(8)7-15/h8-9,12H,2-7H2,1H3
InChIKeySCJJMBWMJSPRMG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.15
Rot. Bonds3

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

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole (PubChem CID 66210480) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole
PubChem CID66210480
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C11H18N4S/c1-2-3-10-13-11(16-14-10)15-6-8-4-12-5-9(8)7-15/h8-9,12H,2-7H2,1H3
InChIKeySCJJMBWMJSPRMG-UHFFFAOYSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.15
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-propyl-1,2,4-thiadiazole with MolForge

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Related Compounds

3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271166
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305398
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305400
5-(4,4-Dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305403
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 108125074
3-methyl-5-(5-(2,2,2-trifluoroethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1,2,4-thiadiazole
CID 121185766
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N-ethyl-1,2,4-thiadiazol-3-amine
CID 20079469
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267506
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267509
3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267685

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-propyl-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-propyl-1,2,4-thiadiazole (CID 66210480) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-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-propyl-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-propyl-1,2,4-thiadiazole is CCCc1nsc(N2CC3CNCC3C2)n1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole?
The InChIKey is SCJJMBWMJSPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-3-10-13-11(16-14-10)15-6-8-4-12-5-9(8)7-15/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propyl-1,2,4-thiadiazole has a molecular weight of 238.36 g/mol, XLogP of 1.15, 3 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-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 66210480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).