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

C15H20F3N5O4S2 — CID 155864233

IUPACN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NCC1CN(Cc2nccs2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N5O2S2.C2HF3O2/c1-2-22(19,20)16-6-12-8-17(9-13-15-3-4-21-13)7-11-5-14-10-18(11)12;3-2(4,5)1(6)7/h3-5,10,12,16H,2,6-9H2,1H3;(H,6,7)
InChIKeyWZKOYDDHMGUUMF-UHFFFAOYSA-N
MW455.48 g/mol
LogP1.47
Rot. Bonds6

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

N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155864233) has the molecular formula C15H20F3N5O4S2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155864233
Molecular FormulaC15H20F3N5O4S2
Molecular Weight455.48 g/mol
Exact Mass455.09
IUPAC NameN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NCC1CN(Cc2nccs2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N5O2S2.C2HF3O2/c1-2-22(19,20)16-6-12-8-17(9-13-15-3-4-21-13)7-11-5-14-10-18(11)12;3-2(4,5)1(6)7/h3-5,10,12,16H,2,6-9H2,1H3;(H,6,7)
InChIKeyWZKOYDDHMGUUMF-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-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[8-methyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743380
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155823600
N,N-dimethyl-2-[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155824749
N-ethyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155825247
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
N-methyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155830766
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
2-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155835174
N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155835456
N-[[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837657
N-[2-[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155839183
N-[2-[7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155840924

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid (CID 155864233) is N-[[7-(1,3-thiazol-2-ylmethyl)-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-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid is CCS(=O)(=O)NCC1CN(Cc2nccs2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is WZKOYDDHMGUUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2.C2HF3O2/c1-2-22(19,20)16-6-12-8-17(9-13-15-3-4-21-13)7-11-5-14-10-18(11)12;3-2(4,5)1(6)7/h3-5,10,12,16H,2,6-9H2,1H3;(H,6,7).
What are the key properties of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;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-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).