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

C12H14N2O2S2 — CID 60670624

IUPAC1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESOC(COCc1ccccc1)CSc1nncs1
InChIInChI=1S/C12H14N2O2S2/c15-11(8-17-12-14-13-9-18-12)7-16-6-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2
InChIKeyAABUZIHWYOIZNH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.21
Rot. Bonds7

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

1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 60670624) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID60670624
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESOC(COCc1ccccc1)CSc1nncs1
InChIInChI=1S/C12H14N2O2S2/c15-11(8-17-12-14-13-9-18-12)7-16-6-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2
InChIKeyAABUZIHWYOIZNH-UHFFFAOYSA-N
XLogP2.21
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
CID 60670961
(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 42104105
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51073499
4-[2-hydroxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzonitrile
CID 42894852
(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol
CID 94800523
1-(4-tert-butyl-2-methylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 110879390
1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 47010267
CID 172760983
CID 172760983
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
CID 130658941

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 60670624) is 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is OC(COCc1ccccc1)CSc1nncs1.
What is the InChIKey of 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is AABUZIHWYOIZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c15-11(8-17-12-14-13-9-18-12)7-16-6-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2.
What are the key properties of 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 60670624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).