ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

C11H21NO2S — CID 12881263

IUPACethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1NC(C(C)C)SC1(C)C
InChIInChI=1S/C11H21NO2S/c1-6-14-10(13)8-11(4,5)15-9(12-8)7(2)3/h7-9,12H,6H2,1-5H3
InChIKeyBDTSLIUVIXBCOK-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.02
Rot. Bonds3

About ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (PubChem CID 12881263) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
PubChem CID12881263
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1NC(C(C)C)SC1(C)C
InChIInChI=1S/C11H21NO2S/c1-6-14-10(13)8-11(4,5)15-9(12-8)7(2)3/h7-9,12H,6H2,1-5H3
InChIKeyBDTSLIUVIXBCOK-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725
2-Isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid
CID 98398
ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 54231762
ethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 11651510
Ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 155822652
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295724
(2S,4R)-2-methoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 172442491
Ethyl 2-acetyl-1,3-thiazolidine-4-carboxylate
CID 20072949
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(1-methylethyl)-, hydrochloride (1:1)
CID 3014730
Ethyl 2-(2-ethoxy-1-formamido-2-oxo-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylate
CID 504548
4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
CID 589621

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (CID 12881263) is ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1NC(C(C)C)SC1(C)C.
What is the InChIKey of ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The InChIKey is BDTSLIUVIXBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-6-14-10(13)8-11(4,5)15-9(12-8)7(2)3/h7-9,12H,6H2,1-5H3.
What are the key properties of ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 12881263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).