(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

C17H16N2O2S2 — CID 42104105

IUPAC(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESO[C@H](COc1ccc(-c2ccccc2)cc1)CSc1nncs1
InChIInChI=1S/C17H16N2O2S2/c20-15(11-22-17-19-18-12-23-17)10-21-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,12,15,20H,10-11H2/t15-/m1/s1
InChIKeyALWSMNACSOTSMW-OAHLLOKOSA-N
MW344.46 g/mol
LogP3.74
Rot. Bonds7

About (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 42104105) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID42104105
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESO[C@H](COc1ccc(-c2ccccc2)cc1)CSc1nncs1
InChIInChI=1S/C17H16N2O2S2/c20-15(11-22-17-19-18-12-23-17)10-21-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,12,15,20H,10-11H2/t15-/m1/s1
InChIKeyALWSMNACSOTSMW-OAHLLOKOSA-N
XLogP3.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-hydroxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzonitrile
CID 42894852
1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 60670624
1-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol
CID 24574051
1-(4-tert-butyl-2-methylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 110879390
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
1-(4-ethoxyphenoxy)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51223037
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 41457712
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
(2R)-1-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-3-(4-phenylphenoxy)propan-2-ol
CID 41404739
1-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol
CID 46690972

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 42104105) is (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is O[C@H](COc1ccc(-c2ccccc2)cc1)CSc1nncs1.
What is the InChIKey of (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is ALWSMNACSOTSMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-15(11-22-17-19-18-12-23-17)10-21-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,12,15,20H,10-11H2/t15-/m1/s1.
What are the key properties of (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 42104105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).