5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole

C15H10Cl2N6S2 — CID 158360207

IUPAC5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
SMILESCc1ccc(-c2nsc(Cl)n2)cn1.Clc1nc(-c2ccncc2)ns1
InChIInChI=1S/C8H6ClN3S.C7H4ClN3S/c1-5-2-3-6(4-10-5)7-11-8(9)13-12-7;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h2-4H,1H3;1-4H
InChIKeyGTJIWFHMBQZVET-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.82
Rot. Bonds2

About 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole

5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole (PubChem CID 158360207) has the molecular formula C15H10Cl2N6S2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
PubChem CID158360207
Molecular FormulaC15H10Cl2N6S2
Molecular Weight409.33 g/mol
Exact Mass407.98
IUPAC Name5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
SMILESCc1ccc(-c2nsc(Cl)n2)cn1.Clc1nc(-c2ccncc2)ns1
InChIInChI=1S/C8H6ClN3S.C7H4ClN3S/c1-5-2-3-6(4-10-5)7-11-8(9)13-12-7;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h2-4H,1H3;1-4H
InChIKeyGTJIWFHMBQZVET-UHFFFAOYSA-N
XLogP4.82
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole (CID 158360207) is 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole is Cc1ccc(-c2nsc(Cl)n2)cn1.Clc1nc(-c2ccncc2)ns1.
What is the InChIKey of 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The InChIKey is GTJIWFHMBQZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S.C7H4ClN3S/c1-5-2-3-6(4-10-5)7-11-8(9)13-12-7;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h2-4H,1H3;1-4H.
What are the key properties of 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole has a molecular weight of 409.33 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 158360207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).