5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole

C7H4ClN3S — CID 46318465

IUPAC5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole
SMILESClc1nc(-c2ccccn2)ns1
InChIInChI=1S/C7H4ClN3S/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H
InChIKeySHEOICYRRJYGQW-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.25
Rot. Bonds1

About 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole

5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole (PubChem CID 46318465) has the molecular formula C7H4ClN3S and a molecular weight of 197.65 g/mol. Its IUPAC name is 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole
PubChem CID46318465
Molecular FormulaC7H4ClN3S
Molecular Weight197.65 g/mol
Exact Mass196.98
IUPAC Name5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole
SMILESClc1nc(-c2ccccn2)ns1
InChIInChI=1S/C7H4ClN3S/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H
InChIKeySHEOICYRRJYGQW-UHFFFAOYSA-N
XLogP2.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole (CID 46318465) is 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole is Clc1nc(-c2ccccn2)ns1.
What is the InChIKey of 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole?
The InChIKey is SHEOICYRRJYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3S/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H.
What are the key properties of 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole?
5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole has a molecular weight of 197.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-pyridin-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 46318465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).