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

C10H13F3N4S — CID 107305400

IUPAC5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC1C2CNCC2CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H13F3N4S/c1-5-7-3-14-2-6(7)4-17(5)9-15-8(16-18-9)10(11,12)13/h5-7,14H,2-4H2,1H3
InChIKeyVMYGGWRVVKHPMH-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.60
Rot. Bonds1

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

5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305400) has the molecular formula C10H13F3N4S and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305400
Molecular FormulaC10H13F3N4S
Molecular Weight278.30 g/mol
Exact Mass278.08
IUPAC Name5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC1C2CNCC2CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H13F3N4S/c1-5-7-3-14-2-6(7)4-17(5)9-15-8(16-18-9)10(11,12)13/h5-7,14H,2-4H2,1H3
InChIKeyVMYGGWRVVKHPMH-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304799
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304860
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-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-(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-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-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanamine
CID 113944164

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 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) is 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is CC1C2CNCC2CN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is VMYGGWRVVKHPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4S/c1-5-7-3-14-2-6(7)4-17(5)9-15-8(16-18-9)10(11,12)13/h5-7,14H,2-4H2,1H3.
What are the key properties of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 278.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).