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

C9H11F3N4S — CID 107305289

IUPAC5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CC[C@H]3CNC[C@H]32)n1
InChIInChI=1S/C9H11F3N4S/c10-9(11,12)7-14-8(17-15-7)16-2-1-5-3-13-4-6(5)16/h5-6,13H,1-4H2/t5-,6+/m0/s1
InChIKeyXSFKWKZECCXJMB-NTSWFWBYSA-N
MW264.28 g/mol
LogP1.36
Rot. Bonds1

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

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305289) has the molecular formula C9H11F3N4S and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305289
Molecular FormulaC9H11F3N4S
Molecular Weight264.28 g/mol
Exact Mass264.07
IUPAC Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CC[C@H]3CNC[C@H]32)n1
InChIInChI=1S/C9H11F3N4S/c10-9(11,12)7-14-8(17-15-7)16-2-1-5-3-13-4-6(5)16/h5-6,13H,1-4H2/t5-,6+/m0/s1
InChIKeyXSFKWKZECCXJMB-NTSWFWBYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304686
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304860
5-(2-Pyrrolidin-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305314
N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305317
N-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305345
N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305346
N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305349
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-(4,4-Dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305403
N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
CID 107305451

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 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) is 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(N2CC[C@H]3CNC[C@H]32)n1.
What is the InChIKey of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is XSFKWKZECCXJMB-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H11F3N4S/c10-9(11,12)7-14-8(17-15-7)16-2-1-5-3-13-4-6(5)16/h5-6,13H,1-4H2/t5-,6+/m0/s1.
What are the key properties of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 264.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).