2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine

C8H13N3S — CID 82406982

IUPAC2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine
SMILESCc1nc(C(N)CC2CC2)ns1
InChIInChI=1S/C8H13N3S/c1-5-10-8(11-12-5)7(9)4-6-2-3-6/h6-7H,2-4,9H2,1H3
InChIKeyRYRHFPQCAVTAIM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.65
Rot. Bonds3

About 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine

2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine (PubChem CID 82406982) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine
PubChem CID82406982
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine
SMILESCc1nc(C(N)CC2CC2)ns1
InChIInChI=1S/C8H13N3S/c1-5-10-8(11-12-5)7(9)4-6-2-3-6/h6-7H,2-4,9H2,1H3
InChIKeyRYRHFPQCAVTAIM-UHFFFAOYSA-N
XLogP1.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine (CID 82406982) is 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine is Cc1nc(C(N)CC2CC2)ns1.
What is the InChIKey of 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine?
The InChIKey is RYRHFPQCAVTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-10-8(11-12-5)7(9)4-6-2-3-6/h6-7H,2-4,9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine?
2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 82406982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).