2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole

C6H5ClN4OS — CID 65214089

IUPAC2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2csnn2)o1
InChIInChI=1S/C6H5ClN4OS/c1-3(7)5-9-10-6(12-5)4-2-13-11-8-4/h2-3H,1H3
InChIKeyVKUFLKBEAGKIEL-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.89
Rot. Bonds2

About 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole

2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 65214089) has the molecular formula C6H5ClN4OS and a molecular weight of 216.65 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
PubChem CID65214089
Molecular FormulaC6H5ClN4OS
Molecular Weight216.65 g/mol
Exact Mass215.99
IUPAC Name2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2csnn2)o1
InChIInChI=1S/C6H5ClN4OS/c1-3(7)5-9-10-6(12-5)4-2-13-11-8-4/h2-3H,1H3
InChIKeyVKUFLKBEAGKIEL-UHFFFAOYSA-N
XLogP1.89
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole (CID 65214089) is 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2csnn2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is VKUFLKBEAGKIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4OS/c1-3(7)5-9-10-6(12-5)4-2-13-11-8-4/h2-3H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 216.65 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 65214089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).