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

C7H7ClN4S — CID 102944059

IUPAC3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(Cl)ns2)n(C)n1
InChIInChI=1S/C7H7ClN4S/c1-4-3-5(12(2)10-4)6-9-7(8)11-13-6/h3H,1-2H3
InChIKeyJADLKNFKMZPYIL-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.90
Rot. Bonds1

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

3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole (PubChem CID 102944059) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
PubChem CID102944059
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(Cl)ns2)n(C)n1
InChIInChI=1S/C7H7ClN4S/c1-4-3-5(12(2)10-4)6-9-7(8)11-13-6/h3H,1-2H3
InChIKeyJADLKNFKMZPYIL-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole (CID 102944059) is 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole is Cc1cc(-c2nc(Cl)ns2)n(C)n1.
What is the InChIKey of 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
The InChIKey is JADLKNFKMZPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c1-4-3-5(12(2)10-4)6-9-7(8)11-13-6/h3H,1-2H3.
What are the key properties of 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole has a molecular weight of 214.68 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).