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

C7H4ClN3S — CID 67841078

IUPAC3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole
SMILESClc1cnccc1-c1cnsn1
InChIInChI=1S/C7H4ClN3S/c8-6-3-9-2-1-5(6)7-4-10-12-11-7/h1-4H
InChIKeyHGUZANKUZXZFHL-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.25
Rot. Bonds1

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

3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole (PubChem CID 67841078) has the molecular formula C7H4ClN3S and a molecular weight of 197.65 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole
PubChem CID67841078
Molecular FormulaC7H4ClN3S
Molecular Weight197.65 g/mol
Exact Mass196.98
IUPAC Name3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole
SMILESClc1cnccc1-c1cnsn1
InChIInChI=1S/C7H4ClN3S/c8-6-3-9-2-1-5(6)7-4-10-12-11-7/h1-4H
InChIKeyHGUZANKUZXZFHL-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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Related Compounds

[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 66473705
4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole
CID 122133821
2-(3-chloro-4-pyridinyl)phenol;ethane
CID 144591018
5-chloro-3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 81441444
3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 91551362
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
CID 104739168
2-chloro-4-(1,2,5-thiadiazol-3-yl)benzoic acid
CID 166318533
2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788
[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol
CID 166359967
3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine
CID 69309763
N-[[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 66474509

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole (CID 67841078) is 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole is Clc1cnccc1-c1cnsn1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole?
The InChIKey is HGUZANKUZXZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3S/c8-6-3-9-2-1-5(6)7-4-10-12-11-7/h1-4H.
What are the key properties of 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole?
3-(3-chloro-4-pyridinyl)-1,2,5-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 3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole is sourced from PubChem (CID 67841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).