5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C13H15N3OS2 — CID 155954022

IUPAC5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCC2CCC(c3ccccc3)O2)s1
InChIInChI=1S/C13H15N3OS2/c14-12-15-16-13(19-12)18-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,15)
InChIKeyYHXUZIVDZXXARZ-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.13
Rot. Bonds4

About 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 155954022) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID155954022
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCC2CCC(c3ccccc3)O2)s1
InChIInChI=1S/C13H15N3OS2/c14-12-15-16-13(19-12)18-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,15)
InChIKeyYHXUZIVDZXXARZ-UHFFFAOYSA-N
XLogP3.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 155954022) is 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCC2CCC(c3ccccc3)O2)s1.
What is the InChIKey of 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YHXUZIVDZXXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-12-15-16-13(19-12)18-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,15).
What are the key properties of 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 293.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenyloxolan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155954022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).