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

C11H14F3N3S — CID 120846149

IUPAC5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CN2C[C@H]3CNC[C@H]3C2)s1
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)10-16-3-9(18-10)6-17-4-7-1-15-2-8(7)5-17/h3,7-8,15H,1-2,4-6H2/t7-,8+
InChIKeyDLYIASUMJCGABV-OCAPTIKFSA-N
MW277.31 g/mol
LogP1.81
Rot. Bonds2

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

5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 120846149) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID120846149
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CN2C[C@H]3CNC[C@H]3C2)s1
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)10-16-3-9(18-10)6-17-4-7-1-15-2-8(7)5-17/h3,7-8,15H,1-2,4-6H2/t7-,8+
InChIKeyDLYIASUMJCGABV-OCAPTIKFSA-N
XLogP1.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120840264
5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120845864
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120834528
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
CID 120838020
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166282932
N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120841624
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-tert-butyl-1,3-thiazole
CID 120846164
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120835564
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054

Frequently Asked Questions

What is the IUPAC name of 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole (CID 120846149) is 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(CN2C[C@H]3CNC[C@H]3C2)s1.
What is the InChIKey of 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DLYIASUMJCGABV-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14F3N3S/c12-11(13,14)10-16-3-9(18-10)6-17-4-7-1-15-2-8(7)5-17/h3,7-8,15H,1-2,4-6H2/t7-,8+.
What are the key properties of 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 277.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120846149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).