4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine

C9H9ClN4S — CID 43808288

IUPAC4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
SMILESCC(Nc1nsnc1Cl)c1ccncc1
InChIInChI=1S/C9H9ClN4S/c1-6(7-2-4-11-5-3-7)12-9-8(10)13-15-14-9/h2-6H,1H3,(H,12,14)
InChIKeyYQTMZMBVWXAQLS-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.76
Rot. Bonds3

About 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine (PubChem CID 43808288) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
PubChem CID43808288
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
SMILESCC(Nc1nsnc1Cl)c1ccncc1
InChIInChI=1S/C9H9ClN4S/c1-6(7-2-4-11-5-3-7)12-9-8(10)13-15-14-9/h2-6H,1H3,(H,12,14)
InChIKeyYQTMZMBVWXAQLS-UHFFFAOYSA-N
XLogP2.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine (CID 43808288) is 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine is CC(Nc1nsnc1Cl)c1ccncc1.
What is the InChIKey of 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is YQTMZMBVWXAQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6(7-2-4-11-5-3-7)12-9-8(10)13-15-14-9/h2-6H,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 240.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43808288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).