1-(thiadiazol-5-yl)prop-2-en-1-ol

C5H6N2OS — CID 105108531

IUPAC1-(thiadiazol-5-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cnns1
InChIInChI=1S/C5H6N2OS/c1-2-4(8)5-3-6-7-9-5/h2-4,8H,1H2
InChIKeyHIMOFJDIMSHWFZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.76
Rot. Bonds2

About 1-(thiadiazol-5-yl)prop-2-en-1-ol

1-(thiadiazol-5-yl)prop-2-en-1-ol (PubChem CID 105108531) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)prop-2-en-1-ol
PubChem CID105108531
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name1-(thiadiazol-5-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cnns1
InChIInChI=1S/C5H6N2OS/c1-2-4(8)5-3-6-7-9-5/h2-4,8H,1H2
InChIKeyHIMOFJDIMSHWFZ-UHFFFAOYSA-N
XLogP0.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(thiadiazol-5-yl)prop-2-en-1-ol (CID 105108531) is 1-(thiadiazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(thiadiazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(thiadiazol-5-yl)prop-2-en-1-ol is C=CC(O)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)prop-2-en-1-ol?
The InChIKey is HIMOFJDIMSHWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-2-4(8)5-3-6-7-9-5/h2-4,8H,1H2.
What are the key properties of 1-(thiadiazol-5-yl)prop-2-en-1-ol?
1-(thiadiazol-5-yl)prop-2-en-1-ol has a molecular weight of 142.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 105108531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).