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

C14H7Cl3N6S2 — CID 162004669

IUPAC5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
SMILESClc1cncc(-c2nsc(Cl)n2)c1.Clc1nc(-c2ccncc2)ns1
InChIInChI=1S/C7H3Cl2N3S.C7H4ClN3S/c8-5-1-4(2-10-3-5)6-11-7(9)13-12-6;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-3H;1-4H
InChIKeyYSRCZKBIZNPHQQ-UHFFFAOYSA-N
MW429.75 g/mol
LogP5.16
Rot. Bonds2

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

5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole (PubChem CID 162004669) has the molecular formula C14H7Cl3N6S2 and a molecular weight of 429.75 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
PubChem CID162004669
Molecular FormulaC14H7Cl3N6S2
Molecular Weight429.75 g/mol
Exact Mass427.92
IUPAC Name5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
SMILESClc1cncc(-c2nsc(Cl)n2)c1.Clc1nc(-c2ccncc2)ns1
InChIInChI=1S/C7H3Cl2N3S.C7H4ClN3S/c8-5-1-4(2-10-3-5)6-11-7(9)13-12-6;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-3H;1-4H
InChIKeyYSRCZKBIZNPHQQ-UHFFFAOYSA-N
XLogP5.16
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.75
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole (CID 162004669) is 5-chloro-3-(5-chloro-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-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole is Clc1cncc(-c2nsc(Cl)n2)c1.Clc1nc(-c2ccncc2)ns1.
What is the InChIKey of 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The InChIKey is YSRCZKBIZNPHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3S.C7H4ClN3S/c8-5-1-4(2-10-3-5)6-11-7(9)13-12-6;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-3H;1-4H.
What are the key properties of 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole has a molecular weight of 429.75 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 162004669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).