5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine

C12H13N3S — CID 107127867

IUPAC5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C12H13N3S/c13-12-14-11(16-15-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H2,13,15)
InChIKeyVMNCUVHTOURLCS-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.39
Rot. Bonds1

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

5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 107127867) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine
PubChem CID107127867
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C12H13N3S/c13-12-14-11(16-15-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H2,13,15)
InChIKeyVMNCUVHTOURLCS-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine (CID 107127867) is 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(C2CCc3ccccc3C2)n1.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is VMNCUVHTOURLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-12-14-11(16-15-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H2,13,15).
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine?
5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 231.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 107127867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).