3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol

C8H14N2O4S3 — CID 15144528

IUPAC3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
SMILESOCC(O)CSc1nnc(SCC(O)CO)s1
InChIInChI=1S/C8H14N2O4S3/c11-1-5(13)3-15-7-9-10-8(17-7)16-4-6(14)2-12/h5-6,11-14H,1-4H2
InChIKeyQIIWQXQSNXLXTO-UHFFFAOYSA-N
MW298.41 g/mol
LogP-0.57
Rot. Bonds8

About 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol

3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol (PubChem CID 15144528) has the molecular formula C8H14N2O4S3 and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
PubChem CID15144528
Molecular FormulaC8H14N2O4S3
Molecular Weight298.41 g/mol
Exact Mass298.01
IUPAC Name3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
SMILESOCC(O)CSc1nnc(SCC(O)CO)s1
InChIInChI=1S/C8H14N2O4S3/c11-1-5(13)3-15-7-9-10-8(17-7)16-4-6(14)2-12/h5-6,11-14H,1-4H2
InChIKeyQIIWQXQSNXLXTO-UHFFFAOYSA-N
XLogP-0.57
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol with MolForge

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Related Compounds

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 78912038
3-[(5-bromo-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 79682618
(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 7107533
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 79822181
[2-hydroxy-3-[[5-[[5-[2-hydroxy-3-(trimethylazaniumyl)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]-trimethylazanium
CID 166046345
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 78912068
3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
CID 79682181
1-dodecoxy-3-[[5-(3-dodecoxy-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 15144521
3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
CID 79682727
[2-hydroxy-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]-trimethylazanium chloride
CID 110190376
3-[5-(hydroxymethyl)thiophen-2-yl]sulfanylpropane-1,2-diol
CID 107365375

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol (CID 15144528) is 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol is OCC(O)CSc1nnc(SCC(O)CO)s1.
What is the InChIKey of 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol?
The InChIKey is QIIWQXQSNXLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S3/c11-1-5(13)3-15-7-9-10-8(17-7)16-4-6(14)2-12/h5-6,11-14H,1-4H2.
What are the key properties of 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol?
3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol has a molecular weight of 298.41 g/mol, XLogP of -0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol is sourced from PubChem (CID 15144528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).