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

C17H21F6N5O4S — CID 155856008

IUPACN,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)Cc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N5S.2C2HF3O2/c1-16(2)7-11-8-18-5-4-17(9-12(18)15-11)10-13-14-3-6-19-13;2*3-2(4,5)1(6)7/h3,6,8H,4-5,7,9-10H2,1-2H3;2*(H,6,7)
InChIKeyDRDXLPMGHCXHCC-UHFFFAOYSA-N
MW505.44 g/mol
LogP2.68
Rot. Bonds4

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

N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155856008) has the molecular formula C17H21F6N5O4S and a molecular weight of 505.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155856008
Molecular FormulaC17H21F6N5O4S
Molecular Weight505.44 g/mol
Exact Mass505.12
IUPAC NameN,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)Cc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N5S.2C2HF3O2/c1-16(2)7-11-8-18-5-4-17(9-12(18)15-11)10-13-14-3-6-19-13;2*3-2(4,5)1(6)7/h3,6,8H,4-5,7,9-10H2,1-2H3;2*(H,6,7)
InChIKeyDRDXLPMGHCXHCC-UHFFFAOYSA-N
XLogP2.68
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid) (CID 155856008) is N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid) is CN(C)Cc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DRDXLPMGHCXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S.2C2HF3O2/c1-16(2)7-11-8-18-5-4-17(9-12(18)15-11)10-13-14-3-6-19-13;2*3-2(4,5)1(6)7/h3,6,8H,4-5,7,9-10H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 505.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155856008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).