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

C15H21NOS — CID 4076126

IUPAC1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCSC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NOS/c1-11(17)16-9-10-18-14(16)12-5-7-13(8-6-12)15(2,3)4/h5-8,14H,9-10H2,1-4H3
InChIKeyUWGNDYDFECDVJT-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.58
Rot. Bonds1

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

1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 4076126) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID4076126
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCSC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NOS/c1-11(17)16-9-10-18-14(16)12-5-7-13(8-6-12)15(2,3)4/h5-8,14H,9-10H2,1-4H3
InChIKeyUWGNDYDFECDVJT-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7415161
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 5060370
N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
CID 110186022
1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
CID 42781148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 4076126) is 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CCSC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is UWGNDYDFECDVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(17)16-9-10-18-14(16)12-5-7-13(8-6-12)15(2,3)4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone?
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 263.41 g/mol, XLogP of 3.58, 1 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]ethanone is sourced from PubChem (CID 4076126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).