2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

C16H24N6S — CID 97382075

IUPAC2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCN1CCN(Cc2cn3c(n2)CN(Cc2nccs2)CC3)CC1
InChIInChI=1S/C16H24N6S/c1-19-3-5-20(6-4-19)10-14-11-22-8-7-21(12-15(22)18-14)13-16-17-2-9-23-16/h2,9,11H,3-8,10,12-13H2,1H3
InChIKeyHSRUSFQXTCWUGB-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.10
Rot. Bonds4

About 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 97382075) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID97382075
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCN1CCN(Cc2cn3c(n2)CN(Cc2nccs2)CC3)CC1
InChIInChI=1S/C16H24N6S/c1-19-3-5-20(6-4-19)10-14-11-22-8-7-21(12-15(22)18-14)13-16-17-2-9-23-16/h2,9,11H,3-8,10,12-13H2,1H3
InChIKeyHSRUSFQXTCWUGB-UHFFFAOYSA-N
XLogP1.10
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467451
2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97467559
2-(piperidin-1-ylmethyl)-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97382059
7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97390283
7-[(3-fluorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 171696035
4-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 97467421
7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467363
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467474
4-[[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 97467445
1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine
CID 117191402
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 97382075) is 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is CN1CCN(Cc2cn3c(n2)CN(Cc2nccs2)CC3)CC1.
What is the InChIKey of 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is HSRUSFQXTCWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-19-3-5-20(6-4-19)10-14-11-22-8-7-21(12-15(22)18-14)13-16-17-2-9-23-16/h2,9,11H,3-8,10,12-13H2,1H3.
What are the key properties of 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 332.48 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97382075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).