4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine

C10H16ClN3S — CID 43426995

IUPAC4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCCCCCC1
InChIInChI=1S/C10H16ClN3S/c11-9-10(14-15-13-9)12-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,12,14)
InChIKeyZLQMOTYUBKWTFN-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.72
Rot. Bonds2

About 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine

4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine (PubChem CID 43426995) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine
PubChem CID43426995
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCCCCCC1
InChIInChI=1S/C10H16ClN3S/c11-9-10(14-15-13-9)12-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,12,14)
InChIKeyZLQMOTYUBKWTFN-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine (CID 43426995) is 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine is Clc1nsnc1NC1CCCCCCC1.
What is the InChIKey of 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine?
The InChIKey is ZLQMOTYUBKWTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c11-9-10(14-15-13-9)12-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,12,14).
What are the key properties of 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine has a molecular weight of 245.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclooctyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43426995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).