2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

C14H19NO3S2 — CID 134091494

IUPAC2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C1SCC(C(=O)O)N1C(=O)Cc1cccs1
InChIInChI=1S/C14H19NO3S2/c1-14(2,3)13-15(10(8-20-13)12(17)18)11(16)7-9-5-4-6-19-9/h4-6,10,13H,7-8H2,1-3H3,(H,17,18)
InChIKeyVDIZFCMDGARTOZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.69
Rot. Bonds3

About 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 134091494) has the molecular formula C14H19NO3S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID134091494
Molecular FormulaC14H19NO3S2
Molecular Weight313.44 g/mol
Exact Mass313.08
IUPAC Name2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)C1SCC(C(=O)O)N1C(=O)Cc1cccs1
InChIInChI=1S/C14H19NO3S2/c1-14(2,3)13-15(10(8-20-13)12(17)18)11(16)7-9-5-4-6-19-9/h4-6,10,13H,7-8H2,1-3H3,(H,17,18)
InChIKeyVDIZFCMDGARTOZ-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729011
2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781077
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 1093249
(2S,4R)-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
CID 30118146
2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79488714
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
2-[8-(2-thiophen-2-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615067
2-tert-butyl-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729007
2-tert-butyl-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729014
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid
CID 10851122

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 134091494) is 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)C1SCC(C(=O)O)N1C(=O)Cc1cccs1.
What is the InChIKey of 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VDIZFCMDGARTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S2/c1-14(2,3)13-15(10(8-20-13)12(17)18)11(16)7-9-5-4-6-19-9/h4-6,10,13H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 134091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).