N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C15H20F3N5O4S2 — CID 155827744

IUPACN-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NCCC1CN(Cc2nccs2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N5O2S2.C2HF3O2/c1-22(19,20)16-3-2-11-7-17(9-13-15-4-5-21-13)8-12-6-14-10-18(11)12;3-2(4,5)1(6)7/h4-6,10-11,16H,2-3,7-9H2,1H3;(H,6,7)
InChIKeyIDLOOKXXTQLRGI-UHFFFAOYSA-N
MW455.48 g/mol
LogP1.47
Rot. Bonds6

About N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155827744) has the molecular formula C15H20F3N5O4S2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155827744
Molecular FormulaC15H20F3N5O4S2
Molecular Weight455.48 g/mol
Exact Mass455.09
IUPAC NameN-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NCCC1CN(Cc2nccs2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N5O2S2.C2HF3O2/c1-22(19,20)16-3-2-11-7-17(9-13-15-4-5-21-13)8-12-6-14-10-18(11)12;3-2(4,5)1(6)7/h4-6,10-11,16H,2-3,7-9H2,1H3;(H,6,7)
InChIKeyIDLOOKXXTQLRGI-UHFFFAOYSA-N
XLogP1.47
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155827744) is N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NCCC1CN(Cc2nccs2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is IDLOOKXXTQLRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2.C2HF3O2/c1-22(19,20)16-3-2-11-7-17(9-13-15-4-5-21-13)8-12-6-14-10-18(11)12;3-2(4,5)1(6)7/h4-6,10-11,16H,2-3,7-9H2,1H3;(H,6,7).
What are the key properties of N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 455.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).