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

C8H13N3S — CID 65273347

IUPAC1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCc1nsc(CC(N)C2CC2)n1
InChIInChI=1S/C8H13N3S/c1-5-10-8(12-11-5)4-7(9)6-2-3-6/h6-7H,2-4,9H2,1H3
InChIKeyFYTAJOYQNCPNAN-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.13
Rot. Bonds3

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

1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 65273347) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID65273347
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCc1nsc(CC(N)C2CC2)n1
InChIInChI=1S/C8H13N3S/c1-5-10-8(12-11-5)4-7(9)6-2-3-6/h6-7H,2-4,9H2,1H3
InChIKeyFYTAJOYQNCPNAN-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine (CID 65273347) is 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine is Cc1nsc(CC(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is FYTAJOYQNCPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-10-8(12-11-5)4-7(9)6-2-3-6/h6-7H,2-4,9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 65273347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).