6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid

C19H22N4O5S — CID 45156225

IUPAC6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESCOc1ccc(-c2nc3sccn3c2CN2CCNCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H20N4OS.C2H2O4/c1-22-14-4-2-13(3-5-14)16-15(12-20-8-6-18-7-9-20)21-10-11-23-17(21)19-16;3-1(4)2(5)6/h2-5,10-11,18H,6-9,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyIGTHRYFXTGXPQQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.63
Rot. Bonds4

About 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid

6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid (PubChem CID 45156225) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
PubChem CID45156225
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESCOc1ccc(-c2nc3sccn3c2CN2CCNCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H20N4OS.C2H2O4/c1-22-14-4-2-13(3-5-14)16-15(12-20-8-6-18-7-9-20)21-10-11-23-17(21)19-16;3-1(4)2(5)6/h2-5,10-11,18H,6-9,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyIGTHRYFXTGXPQQ-UHFFFAOYSA-N
XLogP1.63
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2757048
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312078
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,4-dioxobutanoic acid
CID 20500975
(3S,4S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120646
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
(4S)-4-(hydroxymethyl)-1-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]azepan-4-ol
CID 95718212
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 86931065
ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 24593743
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid?
The IUPAC name of 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid (CID 45156225) is 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid is COc1ccc(-c2nc3sccn3c2CN2CCNCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid?
The InChIKey is IGTHRYFXTGXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.C2H2O4/c1-22-14-4-2-13(3-5-14)16-15(12-20-8-6-18-7-9-20)21-10-11-23-17(21)19-16;3-1(4)2(5)6/h2-5,10-11,18H,6-9,12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid?
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid has a molecular weight of 418.48 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid is sourced from PubChem (CID 45156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).