2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

C26H35N3O3S — CID 42815074

IUPAC2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCCC1SC(c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C26H35N3O3S/c1-5-22-24(31)29(25(33-22)19-8-10-20(11-9-19)26(2,3)4)17-14-27-12-15-28(16-13-27)23(30)21-7-6-18-32-21/h6-11,18,22,25H,5,12-17H2,1-4H3
InChIKeyOXRXSRPJKIGHKS-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.39
Rot. Bonds6

About 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 42815074) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID42815074
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESCCC1SC(c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C26H35N3O3S/c1-5-22-24(31)29(25(33-22)19-8-10-20(11-9-19)26(2,3)4)17-14-27-12-15-28(16-13-27)23(30)21-7-6-18-32-21/h6-11,18,22,25H,5,12-17H2,1-4H3
InChIKeyOXRXSRPJKIGHKS-UHFFFAOYSA-N
XLogP4.39
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 83273286
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 43251904
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37377664
3-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137341082
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 42815074) is 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is CCC1SC(c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)c3ccco3)CC2)C1=O.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is OXRXSRPJKIGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-5-22-24(31)29(25(33-22)19-8-10-20(11-9-19)26(2,3)4)17-14-27-12-15-28(16-13-27)23(30)21-7-6-18-32-21/h6-11,18,22,25H,5,12-17H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 469.65 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42815074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).