1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol

C8H14N2O2S3 — CID 141194398

IUPAC1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
SMILESCCC(O)Sc1nnc(SC(O)CC)s1
InChIInChI=1S/C8H14N2O2S3/c1-3-5(11)13-7-9-10-8(15-7)14-6(12)4-2/h5-6,11-12H,3-4H2,1-2H3
InChIKeyJUYZDDNJJOMJIO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.18
Rot. Bonds6

About 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol

1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol (PubChem CID 141194398) has the molecular formula C8H14N2O2S3 and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
PubChem CID141194398
Molecular FormulaC8H14N2O2S3
Molecular Weight266.41 g/mol
Exact Mass266.02
IUPAC Name1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
SMILESCCC(O)Sc1nnc(SC(O)CC)s1
InChIInChI=1S/C8H14N2O2S3/c1-3-5(11)13-7-9-10-8(15-7)14-6(12)4-2/h5-6,11-12H,3-4H2,1-2H3
InChIKeyJUYZDDNJJOMJIO-UHFFFAOYSA-N
XLogP2.18
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol (CID 141194398) is 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol is CCC(O)Sc1nnc(SC(O)CC)s1.
What is the InChIKey of 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol?
The InChIKey is JUYZDDNJJOMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S3/c1-3-5(11)13-7-9-10-8(15-7)14-6(12)4-2/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol?
1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol has a molecular weight of 266.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-hydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 141194398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).