1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

C23H29NOS — CID 4083073

IUPAC1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCSC1c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H29NOS/c1-5-20(17-9-7-6-8-10-17)21(25)24-15-16-26-22(24)18-11-13-19(14-12-18)23(2,3)4/h6-14,20,22H,5,15-16H2,1-4H3
InChIKeyVSCSECLKNIFFBA-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.75
Rot. Bonds4

About 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (PubChem CID 4083073) has the molecular formula C23H29NOS and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
PubChem CID4083073
Molecular FormulaC23H29NOS
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCSC1c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H29NOS/c1-5-20(17-9-7-6-8-10-17)21(25)24-15-16-26-22(24)18-11-13-19(14-12-18)23(2,3)4/h6-14,20,22H,5,15-16H2,1-4H3
InChIKeyVSCSECLKNIFFBA-UHFFFAOYSA-N
XLogP5.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
1-(4-{[(4-Methylphenyl)thio]methyl}benzoyl)pyrrolidine
CID 961999
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
3-[(4-Tert-butylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3527953
N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 4998334
3-[3-(Dimethylamino)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860520
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
2-Phenyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (CID 4083073) is 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCSC1c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The InChIKey is VSCSECLKNIFFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NOS/c1-5-20(17-9-7-6-8-10-17)21(25)24-15-16-26-22(24)18-11-13-19(14-12-18)23(2,3)4/h6-14,20,22H,5,15-16H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one has a molecular weight of 367.56 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 4083073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).