2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole

C13H8ClN3S — CID 13131289

IUPAC2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole
SMILESClc1ccc(-c2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C13H8ClN3S/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-8H
InChIKeyHQCLMWFHSPNAKS-UHFFFAOYSA-N
MW273.75 g/mol
LogP3.92
Rot. Bonds2

About 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole

2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole (PubChem CID 13131289) has the molecular formula C13H8ClN3S and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole
PubChem CID13131289
Molecular FormulaC13H8ClN3S
Molecular Weight273.75 g/mol
Exact Mass273.01
IUPAC Name2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole
SMILESClc1ccc(-c2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C13H8ClN3S/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-8H
InChIKeyHQCLMWFHSPNAKS-UHFFFAOYSA-N
XLogP3.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole (CID 13131289) is 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole is Clc1ccc(-c2nnc(-c3ccncc3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole?
The InChIKey is HQCLMWFHSPNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3S/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole?
2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole has a molecular weight of 273.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-pyridin-4-yl-1,3,4-thiadiazole is sourced from PubChem (CID 13131289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).