(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol

C14H16N2O2S — CID 110145190

IUPAC(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2cncs2)C[C@H]1Oc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-8-16(7-12-6-15-10-19-12)9-14(13)18-11-4-2-1-3-5-11/h1-6,10,13-14,17H,7-9H2/t13-,14-/m1/s1
InChIKeyBGGCNFSPEOLJMM-ZIAGYGMSSA-N
MW276.36 g/mol
LogP1.77
Rot. Bonds4

About (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol

(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 110145190) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID110145190
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2cncs2)C[C@H]1Oc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-8-16(7-12-6-15-10-19-12)9-14(13)18-11-4-2-1-3-5-11/h1-6,10,13-14,17H,7-9H2/t13-,14-/m1/s1
InChIKeyBGGCNFSPEOLJMM-ZIAGYGMSSA-N
XLogP1.77
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol 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 (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol (CID 110145190) is (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(Cc2cncs2)C[C@H]1Oc1ccccc1.
What is the InChIKey of (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is BGGCNFSPEOLJMM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-8-16(7-12-6-15-10-19-12)9-14(13)18-11-4-2-1-3-5-11/h1-6,10,13-14,17H,7-9H2/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 276.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 110145190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).