ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

C14H25NO3S — CID 42728913

IUPACethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C(C)C)N1C(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3S/c1-7-18-12(16)10-8-19-11(9(2)3)15(10)13(17)14(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyYYRYFZTWAPTHRL-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.52
Rot. Bonds3

About ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (PubChem CID 42728913) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
PubChem CID42728913
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Nameethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C(C)C)N1C(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3S/c1-7-18-12(16)10-8-19-11(9(2)3)15(10)13(17)14(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyYYRYFZTWAPTHRL-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 42728942
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
propyl (2R,4S)-3-(4-bromobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7330944
butyl (2S,4S)-3-(4-methoxybenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7417425
2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42729183
diethyl 3-decanoyl-1,3-thiazolidine-2,4-dicarboxylate
CID 89483188
2-methylpropyl 3-(4-butylbenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 3561416
butyl (2S,4R)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7362470
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
butyl (2R,4R)-3-(naphthalene-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7328067

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (CID 42728913) is ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(C(C)C)N1C(=O)C(C)(C)C.
What is the InChIKey of ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The InChIKey is YYRYFZTWAPTHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-7-18-12(16)10-8-19-11(9(2)3)15(10)13(17)14(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate has a molecular weight of 287.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).