[2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C25H39N3O2S — CID 3930144

IUPAC[2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CSC(C(C)(C)C)N2C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H39N3O2S/c1-8-26-13-15-27(16-14-26)22(30)20-17-31-23(25(5,6)7)28(20)21(29)18-9-11-19(12-10-18)24(2,3)4/h9-12,20,23H,8,13-17H2,1-7H3
InChIKeyMKBIOTCUARDTSI-UHFFFAOYSA-N
MW445.67 g/mol
LogP4.08
Rot. Bonds3

About [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 3930144) has the molecular formula C25H39N3O2S and a molecular weight of 445.67 g/mol. Its IUPAC name is [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID3930144
Molecular FormulaC25H39N3O2S
Molecular Weight445.67 g/mol
Exact Mass445.28
IUPAC Name[2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CSC(C(C)(C)C)N2C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H39N3O2S/c1-8-26-13-15-27(16-14-26)22(30)20-17-31-23(25(5,6)7)28(20)21(29)18-9-11-19(12-10-18)24(2,3)4/h9-12,20,23H,8,13-17H2,1-7H3
InChIKeyMKBIOTCUARDTSI-UHFFFAOYSA-N
XLogP4.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.67
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411
(4-tert-butylphenyl)-[(3S)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 95309072
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
(2R,4R)-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809618
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 86891362
N-butan-2-yl-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745410
(2S,4R)-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 6945926
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 3930144) is [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CSC(C(C)(C)C)N2C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is MKBIOTCUARDTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2S/c1-8-26-13-15-27(16-14-26)22(30)20-17-31-23(25(5,6)7)28(20)21(29)18-9-11-19(12-10-18)24(2,3)4/h9-12,20,23H,8,13-17H2,1-7H3.
What are the key properties of [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 445.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 3930144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).