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

C11H13N3S — CID 64536588

IUPAC5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CCCc2ccccc2)n1
InChIInChI=1S/C11H13N3S/c12-11-13-10(15-14-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKeySMOLRLAGYLUVPI-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.30
Rot. Bonds4

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

5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64536588) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine
PubChem CID64536588
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CCCc2ccccc2)n1
InChIInChI=1S/C11H13N3S/c12-11-13-10(15-14-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKeySMOLRLAGYLUVPI-UHFFFAOYSA-N
XLogP2.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine (CID 64536588) is 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine is Nc1nsc(CCCc2ccccc2)n1.
What is the InChIKey of 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is SMOLRLAGYLUVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-11-13-10(15-14-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14).
What are the key properties of 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine?
5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 219.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64536588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).