tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate

C14H24N2O5S — CID 56800960

IUPACtert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NOC1CCCCO1
InChIInChI=1S/C14H24N2O5S/c1-14(2,3)20-13(18)16-9-22-8-10(16)12(17)15-21-11-6-4-5-7-19-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t10-,11?/m1/s1
InChIKeySMUCZLBQFYEHEU-NFJWQWPMSA-N
MW332.42 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate

tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 56800960) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate
PubChem CID56800960
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Nametert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NOC1CCCCO1
InChIInChI=1S/C14H24N2O5S/c1-14(2,3)20-13(18)16-9-22-8-10(16)12(17)15-21-11-6-4-5-7-19-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t10-,11?/m1/s1
InChIKeySMUCZLBQFYEHEU-NFJWQWPMSA-N
XLogP1.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-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

Related Compounds

tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
tert-butyl (4R)-4-(prop-2-ynylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 95295365
tert-butyl (4R)-4-[(1-amino-1-oxobutan-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 141018690
3-O-tert-butyl 4-O-(chloromethyl) 1,3-thiazolidine-3,4-dicarboxylate
CID 85120063
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145
tert-butyl (4R)-4-(2-acetylsulfanylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 10382253
tert-butyl (4S)-4-[(4-bromophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564439
(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazinane-4-carboxylic acid
CID 91664287
tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564467

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate (CID 56800960) is tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NOC1CCCCO1.
What is the InChIKey of tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is SMUCZLBQFYEHEU-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-14(2,3)20-13(18)16-9-22-8-10(16)12(17)15-21-11-6-4-5-7-19-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t10-,11?/m1/s1.
What are the key properties of tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate?
tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 332.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 56800960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).