1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine

C7H11N3S — CID 79501289

IUPAC1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine
SMILESc1nsnc1CNCC1CC1
InChIInChI=1S/C7H11N3S/c1-2-6(1)3-8-4-7-5-9-11-10-7/h5-6,8H,1-4H2
InChIKeyOHUVQWWNPZDVKK-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.04
Rot. Bonds4

About 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine

1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine (PubChem CID 79501289) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine
PubChem CID79501289
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine
SMILESc1nsnc1CNCC1CC1
InChIInChI=1S/C7H11N3S/c1-2-6(1)3-8-4-7-5-9-11-10-7/h5-6,8H,1-4H2
InChIKeyOHUVQWWNPZDVKK-UHFFFAOYSA-N
XLogP1.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine (CID 79501289) is 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine is c1nsnc1CNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine?
The InChIKey is OHUVQWWNPZDVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-6(1)3-8-4-7-5-9-11-10-7/h5-6,8H,1-4H2.
What are the key properties of 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine?
1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine has a molecular weight of 169.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,2,5-thiadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 79501289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).