3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone

C20H19F3N4OS — CID 45183616

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCN2CCCC2C1
InChIInChI=1S/C20H19F3N4OS/c21-20(22,23)14-4-1-3-13(9-14)16-11-27-17(12-29-19(27)24-16)18(28)26-8-7-25-6-2-5-15(25)10-26/h1,3-4,9,11-12,15H,2,5-8,10H2
InChIKeyJFKPMOMFTREORO-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.00
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone (PubChem CID 45183616) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
PubChem CID45183616
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCN2CCCC2C1
InChIInChI=1S/C20H19F3N4OS/c21-20(22,23)14-4-1-3-13(9-14)16-11-27-17(12-29-19(27)24-16)18(28)26-8-7-25-6-2-5-15(25)10-26/h1,3-4,9,11-12,15H,2,5-8,10H2
InChIKeyJFKPMOMFTREORO-UHFFFAOYSA-N
XLogP4.00
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone (CID 45183616) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone is O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCN2CCCC2C1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The InChIKey is JFKPMOMFTREORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c21-20(22,23)14-4-1-3-13(9-14)16-11-27-17(12-29-19(27)24-16)18(28)26-8-7-25-6-2-5-15(25)10-26/h1,3-4,9,11-12,15H,2,5-8,10H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone has a molecular weight of 420.46 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone is sourced from PubChem (CID 45183616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).