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

C20H23NOS — CID 4058369

IUPAC[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESCC(C)(C)c1ccc(C2SCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NOS/c1-20(2,3)17-11-9-16(10-12-17)19-21(13-14-23-19)18(22)15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3
InChIKeyZRSISCXVXWESPK-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.87
Rot. Bonds2

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

[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone (PubChem CID 4058369) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
PubChem CID4058369
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESCC(C)(C)c1ccc(C2SCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NOS/c1-20(2,3)17-11-9-16(10-12-17)19-21(13-14-23-19)18(22)15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3
InChIKeyZRSISCXVXWESPK-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 815703
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7415161
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
CID 10409832

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The IUPAC name of [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone (CID 4058369) is [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The canonical SMILES for [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone is CC(C)(C)c1ccc(C2SCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The InChIKey is ZRSISCXVXWESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-20(2,3)17-11-9-16(10-12-17)19-21(13-14-23-19)18(22)15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone has a molecular weight of 325.48 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 4058369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).