2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole

C21H25N5OS — CID 97440582

IUPAC2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2cnc3n2CCNC32CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C21H25N5OS/c1-27-17-4-2-16(3-5-17)18-14-23-20-21(24-8-12-26(18)20)6-10-25(11-7-21)15-19-22-9-13-28-19/h2-5,9,13-14,24H,6-8,10-12,15H2,1H3
InChIKeyIPCGEWASPIUURV-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.11
Rot. Bonds4

About 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole

2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole (PubChem CID 97440582) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
PubChem CID97440582
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2cnc3n2CCNC32CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C21H25N5OS/c1-27-17-4-2-16(3-5-17)18-14-23-20-21(24-8-12-26(18)20)6-10-25(11-7-21)15-19-22-9-13-28-19/h2-5,9,13-14,24H,6-8,10-12,15H2,1H3
InChIKeyIPCGEWASPIUURV-UHFFFAOYSA-N
XLogP3.11
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
CID 97361100
2-[[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171692594
2-[[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155825136
3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 97410441
1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171696659
2-[[4-carboxy-4-[4-(4-methoxyphenyl)-N-sulfinatoanilino]piperidin-1-yl]methyl]-1,3-thiazole
CID 70034612
2-[(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155825736
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155856589
(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475121
7-ethyl-1'-[(4-methoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361046
(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155849750

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole (CID 97440582) is 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole is COc1ccc(-c2cnc3n2CCNC32CCN(Cc3nccs3)CC2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole?
The InChIKey is IPCGEWASPIUURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-27-17-4-2-16(3-5-17)18-14-23-20-21(24-8-12-26(18)20)6-10-25(11-7-21)15-19-22-9-13-28-19/h2-5,9,13-14,24H,6-8,10-12,15H2,1H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole?
2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole has a molecular weight of 395.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97440582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).