N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid

C16H22F3N5O4S2 — CID 155830835

IUPACN-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NCC1CN(Cc2csc(C)n2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N5O2S2.C2HF3O2/c1-3-23(20,21)16-5-14-8-18(6-12-9-22-11(2)17-12)7-13-4-15-10-19(13)14;3-2(4,5)1(6)7/h4,9-10,14,16H,3,5-8H2,1-2H3;(H,6,7)
InChIKeyOMANUFYIWSVTEJ-UHFFFAOYSA-N
MW469.51 g/mol
LogP1.78
Rot. Bonds6

About N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid

N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155830835) has the molecular formula C16H22F3N5O4S2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155830835
Molecular FormulaC16H22F3N5O4S2
Molecular Weight469.51 g/mol
Exact Mass469.11
IUPAC NameN-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NCC1CN(Cc2csc(C)n2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N5O2S2.C2HF3O2/c1-3-23(20,21)16-5-14-8-18(6-12-9-22-11(2)17-12)7-13-4-15-10-19(13)14;3-2(4,5)1(6)7/h4,9-10,14,16H,3,5-8H2,1-2H3;(H,6,7)
InChIKeyOMANUFYIWSVTEJ-UHFFFAOYSA-N
XLogP1.78
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid (CID 155830835) is N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid is CCS(=O)(=O)NCC1CN(Cc2csc(C)n2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is OMANUFYIWSVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S2.C2HF3O2/c1-3-23(20,21)16-5-14-8-18(6-12-9-22-11(2)17-12)7-13-4-15-10-19(13)14;3-2(4,5)1(6)7/h4,9-10,14,16H,3,5-8H2,1-2H3;(H,6,7).
What are the key properties of N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).