3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine

C10H11N3S2 — CID 17186007

IUPAC3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SCCc2ccccc2)ns1
InChIInChI=1S/C10H11N3S2/c11-9-12-10(13-15-9)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13)
InChIKeyQDJUZDIWHZEIBN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine

3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine (PubChem CID 17186007) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine
PubChem CID17186007
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SCCc2ccccc2)ns1
InChIInChI=1S/C10H11N3S2/c11-9-12-10(13-15-9)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13)
InChIKeyQDJUZDIWHZEIBN-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine (CID 17186007) is 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine is Nc1nc(SCCc2ccccc2)ns1.
What is the InChIKey of 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QDJUZDIWHZEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c11-9-12-10(13-15-9)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13).
What are the key properties of 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine?
3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylsulfanyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 17186007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).