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

C8H13N3S — CID 82406957

IUPAC3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine
SMILESNCCCc1nsc(C2CC2)n1
InChIInChI=1S/C8H13N3S/c9-5-1-2-7-10-8(12-11-7)6-3-4-6/h6H,1-5,9H2
InChIKeyZHDPEUPYEJMOES-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds4

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

3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine (PubChem CID 82406957) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine
PubChem CID82406957
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine
SMILESNCCCc1nsc(C2CC2)n1
InChIInChI=1S/C8H13N3S/c9-5-1-2-7-10-8(12-11-7)6-3-4-6/h6H,1-5,9H2
InChIKeyZHDPEUPYEJMOES-UHFFFAOYSA-N
XLogP1.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine (CID 82406957) is 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine is NCCCc1nsc(C2CC2)n1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine?
The InChIKey is ZHDPEUPYEJMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-5-1-2-7-10-8(12-11-7)6-3-4-6/h6H,1-5,9H2.
What are the key properties of 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine?
3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 82406957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).