5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole

C11H15F3N4S — CID 107305403

IUPAC5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC1(C)C2CNCC2CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H15F3N4S/c1-10(2)7-4-15-3-6(7)5-18(10)9-16-8(17-19-9)11(12,13)14/h6-7,15H,3-5H2,1-2H3
InChIKeyNRPCBPMWXIONSS-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.99
Rot. Bonds1

About 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305403) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305403
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC1(C)C2CNCC2CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H15F3N4S/c1-10(2)7-4-15-3-6(7)5-18(10)9-16-8(17-19-9)11(12,13)14/h6-7,15H,3-5H2,1-2H3
InChIKeyNRPCBPMWXIONSS-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole with MolForge

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Related Compounds

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305289
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 107305342
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-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305402
[5-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 107305480
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine
CID 107306302
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
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanamine
CID 113944055
3-methyl-5-(5-(2,2,2-trifluoroethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1,2,4-thiadiazole
CID 121185766
2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 121664641
5-(2,7-Diazaspiro[4.4]nonan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 121664839

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 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) is 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is CC1(C)C2CNCC2CN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is NRPCBPMWXIONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c1-10(2)7-4-15-3-6(7)5-18(10)9-16-8(17-19-9)11(12,13)14/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 292.33 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).