2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole

C4HClN4S2 — CID 65216358

IUPAC2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole
SMILESClc1nnc(-c2csnn2)s1
InChIInChI=1S/C4HClN4S2/c5-4-8-7-3(11-4)2-1-10-9-6-2/h1H
InChIKeyUTRYWWMBFZSEOZ-UHFFFAOYSA-N
MW204.67 g/mol
LogP1.71
Rot. Bonds1

About 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole

2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole (PubChem CID 65216358) has the molecular formula C4HClN4S2 and a molecular weight of 204.67 g/mol. Its IUPAC name is 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole
PubChem CID65216358
Molecular FormulaC4HClN4S2
Molecular Weight204.67 g/mol
Exact Mass203.93
IUPAC Name2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole
SMILESClc1nnc(-c2csnn2)s1
InChIInChI=1S/C4HClN4S2/c5-4-8-7-3(11-4)2-1-10-9-6-2/h1H
InChIKeyUTRYWWMBFZSEOZ-UHFFFAOYSA-N
XLogP1.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.67
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole (CID 65216358) is 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole is Clc1nnc(-c2csnn2)s1.
What is the InChIKey of 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole?
The InChIKey is UTRYWWMBFZSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClN4S2/c5-4-8-7-3(11-4)2-1-10-9-6-2/h1H.
What are the key properties of 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole?
2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole has a molecular weight of 204.67 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 65216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).