tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

C12H18N2O3S — CID 59298225

IUPACtert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2nccs2)C1
InChIInChI=1S/C12H18N2O3S/c1-11(2,3)17-10(15)14-6-4-12(16,8-14)9-13-5-7-18-9/h5,7,16H,4,6,8H2,1-3H3
InChIKeyXHZHWLNZWLDYGX-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 59298225) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID59298225
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2nccs2)C1
InChIInChI=1S/C12H18N2O3S/c1-11(2,3)17-10(15)14-6-4-12(16,8-14)9-13-5-7-18-9/h5,7,16H,4,6,8H2,1-3H3
InChIKeyXHZHWLNZWLDYGX-UHFFFAOYSA-N
XLogP1.97
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-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

2-[([1,3]-Thiazol-2-yl)hydroxymethyl]-1-N-(tert-butoxycarbonyl)-(2S)-pyrrolidine
CID 10265907
3-Methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70782939
Tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 172701138
tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11141557
Tert-butyl 4-[hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15599685
[3-Hydroxy-3-(1,3-thiazol-2-yl)propyl]-methylcarbamic acid
CID 17931140
Tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 57423796
Tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 57855147
2-(1-(Tert-butoxycarbonyl)-3-(thiazol-2-yl)pyrrolidin-3-yloxy)acetic acid
CID 58513728
Tert-butyl 3-(2-methoxy-2-oxoethoxy)-3-(thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58513752
Tert-butyl 3-(2-hydroxyethoxy)-3-(thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58513754
(4S,5S)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
CID 59135148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (CID 59298225) is tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2nccs2)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is XHZHWLNZWLDYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-11(2,3)17-10(15)14-6-4-12(16,8-14)9-13-5-7-18-9/h5,7,16H,4,6,8H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59298225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).