1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol

C20H22N2O2S — CID 10618124

IUPAC1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol
SMILESCC(O)(Cc1nnc(CC(C)(O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-19(23,15-9-5-3-6-10-15)13-17-21-22-18(25-17)14-20(2,24)16-11-7-4-8-12-16/h3-12,23-24H,13-14H2,1-2H3
InChIKeyNQMITLZPRNEDTR-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.44
Rot. Bonds6

About 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol

1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol (PubChem CID 10618124) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol
PubChem CID10618124
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol
SMILESCC(O)(Cc1nnc(CC(C)(O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-19(23,15-9-5-3-6-10-15)13-17-21-22-18(25-17)14-20(2,24)16-11-7-4-8-12-16/h3-12,23-24H,13-14H2,1-2H3
InChIKeyNQMITLZPRNEDTR-UHFFFAOYSA-N
XLogP3.44
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol (CID 10618124) is 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol is CC(O)(Cc1nnc(CC(C)(O)c2ccccc2)s1)c1ccccc1.
What is the InChIKey of 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol?
The InChIKey is NQMITLZPRNEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-19(23,15-9-5-3-6-10-15)13-17-21-22-18(25-17)14-20(2,24)16-11-7-4-8-12-16/h3-12,23-24H,13-14H2,1-2H3.
What are the key properties of 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol?
1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol has a molecular weight of 354.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxy-2-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 10618124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).