tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

C11H19NO3S — CID 20624365

IUPACtert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C=O)CSC1(C)C
InChIInChI=1S/C11H19NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h6,8H,7H2,1-5H3
InChIKeyPFTJFEGOSYUKCB-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.27
Rot. Bonds1

About tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 20624365) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID20624365
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Nametert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C=O)CSC1(C)C
InChIInChI=1S/C11H19NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h6,8H,7H2,1-5H3
InChIKeyPFTJFEGOSYUKCB-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate (CID 20624365) is tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(C=O)CSC1(C)C.
What is the InChIKey of tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is PFTJFEGOSYUKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h6,8H,7H2,1-5H3.
What are the key properties of tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate?
tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 245.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 20624365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).