3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine

C7H5ClN4S — CID 53402074

IUPAC3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccnc(Cl)c2)ns1
InChIInChI=1S/C7H5ClN4S/c8-5-3-4(1-2-10-5)6-11-7(9)13-12-6/h1-3H,(H2,9,11,12)
InChIKeyCYBJRYIFCYZLSC-UHFFFAOYSA-N
MW212.67 g/mol
LogP1.84
Rot. Bonds1

About 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine

3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 53402074) has the molecular formula C7H5ClN4S and a molecular weight of 212.67 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID53402074
Molecular FormulaC7H5ClN4S
Molecular Weight212.67 g/mol
Exact Mass211.99
IUPAC Name3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccnc(Cl)c2)ns1
InChIInChI=1S/C7H5ClN4S/c8-5-3-4(1-2-10-5)6-11-7(9)13-12-6/h1-3H,(H2,9,11,12)
InChIKeyCYBJRYIFCYZLSC-UHFFFAOYSA-N
XLogP1.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 53402074) is 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ccnc(Cl)c2)ns1.
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CYBJRYIFCYZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S/c8-5-3-4(1-2-10-5)6-11-7(9)13-12-6/h1-3H,(H2,9,11,12).
What are the key properties of 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 212.67 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 53402074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).