tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate

C12H17NO3S2 — CID 138973843

IUPACtert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](O)CS[C@@H]1c1cccs1
InChIInChI=1S/C12H17NO3S2/c1-12(2,3)16-11(15)13-9(14)7-18-10(13)8-5-4-6-17-8/h4-6,9-10,14H,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyRTDYBLZGMDEGPV-NXEZZACHSA-N
MW287.41 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate

tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate (PubChem CID 138973843) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate
PubChem CID138973843
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Nametert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](O)CS[C@@H]1c1cccs1
InChIInChI=1S/C12H17NO3S2/c1-12(2,3)16-11(15)13-9(14)7-18-10(13)8-5-4-6-17-8/h4-6,9-10,14H,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyRTDYBLZGMDEGPV-NXEZZACHSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-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 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
5-Methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 164676148
3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
CID 95158751
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
CID 146612126
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
Tert-butyl 7-thiophen-2-yl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11818317
tert-butyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 101957249
2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate
CID 60705883
2,2,2-trifluoroethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 64114475
tert-butyl N-{[(2S,4S)-4-fluoro-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl]methyl}-N-methylcarbamate
CID 165931420
3-(2-Hydroxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3447830

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate (CID 138973843) is tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](O)CS[C@@H]1c1cccs1.
What is the InChIKey of tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate?
The InChIKey is RTDYBLZGMDEGPV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-12(2,3)16-11(15)13-9(14)7-18-10(13)8-5-4-6-17-8/h4-6,9-10,14H,7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate?
tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate has a molecular weight of 287.41 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-hydroxy-2-thiophen-2-yl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 138973843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).