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

C14H12N2OS — CID 137103601

IUPAC4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol
SMILESOc1ccc(C2=NNC(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/h1-9,13,15,17H
InChIKeyKYVGLEFCQGPINI-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.09
Rot. Bonds2

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

4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol (PubChem CID 137103601) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol
PubChem CID137103601
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol
SMILESOc1ccc(C2=NNC(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/h1-9,13,15,17H
InChIKeyKYVGLEFCQGPINI-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol?
The IUPAC name of 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol (CID 137103601) is 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol.
What is the SMILES notation for 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol?
The canonical SMILES for 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol is Oc1ccc(C2=NNC(c3ccccc3)S2)cc1.
What is the InChIKey of 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol?
The InChIKey is KYVGLEFCQGPINI-UHFFFAOYSA-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/h1-9,13,15,17H.
What are the key properties of 4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol?
4-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-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-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)phenol is sourced from PubChem (CID 137103601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).