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

C18H14N2OS — CID 7038159

IUPAC1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@@H]1NN=C(c2ccccc2)S1
InChIInChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H/t18-/m1/s1
InChIKeyQIHMPEZAXBQNBF-GOSISDBHSA-N
MW306.39 g/mol
LogP4.24
Rot. Bonds2

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

1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol (PubChem CID 7038159) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
PubChem CID7038159
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@@H]1NN=C(c2ccccc2)S1
InChIInChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H/t18-/m1/s1
InChIKeyQIHMPEZAXBQNBF-GOSISDBHSA-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': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol (CID 7038159) is 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1[C@@H]1NN=C(c2ccccc2)S1.
What is the InChIKey of 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol?
The InChIKey is QIHMPEZAXBQNBF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H/t18-/m1/s1.
What are the key properties of 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol?
1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol 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 1-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 7038159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).