2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid

C24H28N4O6S — CID 71780576

IUPAC2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid
SMILESO=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H26N4O2S.C2H2O4/c27-21(23-9-8-18-5-2-1-3-6-18)15-25-10-12-26(13-11-25)16-22-24-19(17-29-22)20-7-4-14-28-20;3-1(4)2(5)6/h1-7,14,17H,8-13,15-16H2,(H,23,27);(H,3,4)(H,5,6)
InChIKeyJUBZOKPMRMDTCQ-UHFFFAOYSA-N
MW500.58 g/mol
LogP2.04
Rot. Bonds8

About 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid

2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid (PubChem CID 71780576) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid
PubChem CID71780576
Molecular FormulaC24H28N4O6S
Molecular Weight500.58 g/mol
Exact Mass500.17
IUPAC Name2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid
SMILESO=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H26N4O2S.C2H2O4/c27-21(23-9-8-18-5-2-1-3-6-18)15-25-10-12-26(13-11-25)16-22-24-19(17-29-22)20-7-4-14-28-20;3-1(4)2(5)6/h1-7,14,17H,8-13,15-16H2,(H,23,27);(H,3,4)(H,5,6)
InChIKeyJUBZOKPMRMDTCQ-UHFFFAOYSA-N
XLogP2.04
TPSA136.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 52.04
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

2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 30486755
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580
methyl 4-[[2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetyl]amino]benzoate;oxalic acid
CID 71780572
N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533
N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486660
N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868826
(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 30860587
(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30860537
4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 30463781
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid?
The IUPAC name of 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid (CID 71780576) is 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid.
What is the SMILES notation for 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid?
The canonical SMILES for 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid is O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid?
The InChIKey is JUBZOKPMRMDTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S.C2H2O4/c27-21(23-9-8-18-5-2-1-3-6-18)15-25-10-12-26(13-11-25)16-22-24-19(17-29-22)20-7-4-14-28-20;3-1(4)2(5)6/h1-7,14,17H,8-13,15-16H2,(H,23,27);(H,3,4)(H,5,6).
What are the key properties of 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid?
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid has a molecular weight of 500.58 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid is sourced from PubChem (CID 71780576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).