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

C18H14N2OS — CID 135562299

IUPAC2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
SMILESOc1ccccc1C1=NN[C@@H](c2ccc3ccccc3c2)S1
InChIInChI=1S/C18H14N2OS/c21-16-8-4-3-7-15(16)18-20-19-17(22-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19,21H/t17-/m1/s1
InChIKeyUPSFLYNKZIBVCC-QGZVFWFLSA-N
MW306.39 g/mol
LogP4.24
Rot. Bonds2

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

2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol (PubChem CID 135562299) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
PubChem CID135562299
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
SMILESOc1ccccc1C1=NN[C@@H](c2ccc3ccccc3c2)S1
InChIInChI=1S/C18H14N2OS/c21-16-8-4-3-7-15(16)18-20-19-17(22-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19,21H/t17-/m1/s1
InChIKeyUPSFLYNKZIBVCC-QGZVFWFLSA-N
XLogP4.24
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
The IUPAC name of 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol (CID 135562299) is 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol.
What is the SMILES notation for 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
The canonical SMILES for 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol is Oc1ccccc1C1=NN[C@@H](c2ccc3ccccc3c2)S1.
What is the InChIKey of 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
The InChIKey is UPSFLYNKZIBVCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-16-8-4-3-7-15(16)18-20-19-17(22-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19,21H/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol has a molecular weight of 306.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol is sourced from PubChem (CID 135562299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).