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

C8H11N3S — CID 130545934

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
SMILESNC1(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C8H11N3S/c9-8(3-4-8)7-10-6(11-12-7)5-1-2-5/h5H,1-4,9H2
InChIKeyDKLQYARINHSKHZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.36
Rot. Bonds2

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine (PubChem CID 130545934) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
PubChem CID130545934
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
SMILESNC1(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C8H11N3S/c9-8(3-4-8)7-10-6(11-12-7)5-1-2-5/h5H,1-4,9H2
InChIKeyDKLQYARINHSKHZ-UHFFFAOYSA-N
XLogP1.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine (CID 130545934) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine is NC1(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
The InChIKey is DKLQYARINHSKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-8(3-4-8)7-10-6(11-12-7)5-1-2-5/h5H,1-4,9H2.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine has a molecular weight of 181.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 130545934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).