4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol

C14H12N2OS — CID 781061

IUPAC4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C14H12N2OS/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,14,16-17H/t14-/m1/s1
InChIKeyUAYJSAALHQXXRV-CQSZACIVSA-N
MW256.33 g/mol
LogP3.09
Rot. Bonds2

About 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol

4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 781061) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol
PubChem CID781061
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C14H12N2OS/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,14,16-17H/t14-/m1/s1
InChIKeyUAYJSAALHQXXRV-CQSZACIVSA-N
XLogP3.09
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol 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 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol (CID 781061) is 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol is Oc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is UAYJSAALHQXXRV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,14,16-17H/t14-/m1/s1.
What are the key properties of 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol?
4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 256.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 781061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).