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

C11H18N4S — CID 66213391

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C11H18N4S/c1-7(2)10-13-11(16-14-10)15-5-8-3-12-4-9(8)6-15/h7-9,12H,3-6H2,1-2H3
InChIKeyCKAZGUJYPSTGQG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.32
Rot. Bonds2

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

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 66213391) 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-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID66213391
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-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C11H18N4S/c1-7(2)10-13-11(16-14-10)15-5-8-3-12-4-9(8)6-15/h7-9,12H,3-6H2,1-2H3
InChIKeyCKAZGUJYPSTGQG-UHFFFAOYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.32
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-propan-2-yl-1,2,4-thiadiazole with MolForge

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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-propan-2-yl-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-propan-2-yl-1,2,4-thiadiazole (CID 66213391) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CC3CNCC3C2)n1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is CKAZGUJYPSTGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-7(2)10-13-11(16-14-10)15-5-8-3-12-4-9(8)6-15/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-1,2,4-thiadiazole?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 238.36 g/mol, XLogP of 1.32, 2 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-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 66213391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).