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

C16H22F3N5O4S2 — CID 155839183

IUPACN-[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
SMILESCc1ncsc1CN1Cc2cncn2C(CCNS(C)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N5O2S2.C2HF3O2/c1-11-14(22-10-16-11)8-18-6-12(3-4-17-23(2,20)21)19-9-15-5-13(19)7-18;3-2(4,5)1(6)7/h5,9-10,12,17H,3-4,6-8H2,1-2H3;(H,6,7)
InChIKeyRFUKGEBYYOLZSC-UHFFFAOYSA-N
MW469.51 g/mol
LogP1.78
Rot. Bonds6

About 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

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 (PubChem CID 155839183) has the molecular formula C16H22F3N5O4S2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155839183
Molecular FormulaC16H22F3N5O4S2
Molecular Weight469.51 g/mol
Exact Mass469.11
IUPAC NameN-[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
SMILESCc1ncsc1CN1Cc2cncn2C(CCNS(C)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N5O2S2.C2HF3O2/c1-11-14(22-10-16-11)8-18-6-12(3-4-17-23(2,20)21)19-9-15-5-13(19)7-18;3-2(4,5)1(6)7/h5,9-10,12,17H,3-4,6-8H2,1-2H3;(H,6,7)
InChIKeyRFUKGEBYYOLZSC-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-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncsc1CN1Cc2cncn2C(CCNS(C)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is RFUKGEBYYOLZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S2.C2HF3O2/c1-11-14(22-10-16-11)8-18-6-12(3-4-17-23(2,20)21)19-9-15-5-13(19)7-18;3-2(4,5)1(6)7/h5,9-10,12,17H,3-4,6-8H2,1-2H3;(H,6,7).
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 155839183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).