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

C15H18F3N5O3S — CID 155839589

IUPACN,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cnc2n1CCN(Cc1nccs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17N5OS.C2HF3O2/c1-16(2)13(19)10-7-15-11-8-17(4-5-18(10)11)9-12-14-3-6-20-12;3-2(4,5)1(6)7/h3,6-7H,4-5,8-9H2,1-2H3;(H,6,7)
InChIKeyFLUUNPXJXLLFDD-UHFFFAOYSA-N
MW405.40 g/mol
LogP1.69
Rot. Bonds3

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

N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155839589) has the molecular formula C15H18F3N5O3S and a molecular weight of 405.40 g/mol. Its IUPAC name is N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155839589
Molecular FormulaC15H18F3N5O3S
Molecular Weight405.40 g/mol
Exact Mass405.11
IUPAC NameN,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cnc2n1CCN(Cc1nccs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17N5OS.C2HF3O2/c1-16(2)13(19)10-7-15-11-8-17(4-5-18(10)11)9-12-14-3-6-20-12;3-2(4,5)1(6)7/h3,6-7H,4-5,8-9H2,1-2H3;(H,6,7)
InChIKeyFLUUNPXJXLLFDD-UHFFFAOYSA-N
XLogP1.69
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethylthiazolo[2,3-f]purine-2,4(1H,3H)-dione
CID 913284
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 742946
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911599
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
(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118745940
1,3-Dimethyl-7-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]purine-2,6-dione
CID 136517240
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 164641234
7-But-2-ynyl-2-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydropurin-6-one;2,2,2-trifluoroacetic acid
CID 23071058
7-But-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)purin-6-one;2,2,2-trifluoroacetic acid
CID 23081895
3,7-Dimethyl-1-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]methyl]purine-2,6-dione
CID 121279364
2-hydroxy-3,7-dimethyl-1-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]methyl]-2H-purin-6-one
CID 129099970
6-{[4-(2,2,2-Trifluoroethyl)-1-piperazinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70782367

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155839589) is N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1cnc2n1CCN(Cc1nccs1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FLUUNPXJXLLFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS.C2HF3O2/c1-16(2)13(19)10-7-15-11-8-17(4-5-18(10)11)9-12-14-3-6-20-12;3-2(4,5)1(6)7/h3,6-7H,4-5,8-9H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 405.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).