5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole

C7H9ClN2S — CID 65280384

IUPAC5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole
SMILESClC(Cc1ncns1)C1CC1
InChIInChI=1S/C7H9ClN2S/c8-6(5-1-2-5)3-7-9-4-10-11-7/h4-6H,1-3H2
InChIKeyVJAQMHWUQBMVNW-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.10
Rot. Bonds3

About 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole

5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole (PubChem CID 65280384) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole
PubChem CID65280384
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole
SMILESClC(Cc1ncns1)C1CC1
InChIInChI=1S/C7H9ClN2S/c8-6(5-1-2-5)3-7-9-4-10-11-7/h4-6H,1-3H2
InChIKeyVJAQMHWUQBMVNW-UHFFFAOYSA-N
XLogP2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole (CID 65280384) is 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole is ClC(Cc1ncns1)C1CC1.
What is the InChIKey of 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole?
The InChIKey is VJAQMHWUQBMVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-6(5-1-2-5)3-7-9-4-10-11-7/h4-6H,1-3H2.
What are the key properties of 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole?
5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole has a molecular weight of 188.68 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65280384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).