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

C6H5ClN4OS — CID 102661119

IUPAC3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2csnn2)n1
InChIInChI=1S/C6H5ClN4OS/c1-3(7)5-8-6(12-10-5)4-2-13-11-9-4/h2-3H,1H3
InChIKeyRCIFKCKFAHMVJS-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.89
Rot. Bonds2

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

3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 102661119) has the molecular formula C6H5ClN4OS and a molecular weight of 216.65 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
PubChem CID102661119
Molecular FormulaC6H5ClN4OS
Molecular Weight216.65 g/mol
Exact Mass215.99
IUPAC Name3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2csnn2)n1
InChIInChI=1S/C6H5ClN4OS/c1-3(7)5-8-6(12-10-5)4-2-13-11-9-4/h2-3H,1H3
InChIKeyRCIFKCKFAHMVJS-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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Related Compounds

3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 112571871
3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 130781126
2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633150
5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole
CID 102661118
3-(1-chloroethyl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 102661099
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
3-(1-chloroethyl)-5-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 67070739
3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
CID 106688117
3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 103095688
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole
CID 102660981
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (CID 102661119) is 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2csnn2)n1.
What is the InChIKey of 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is RCIFKCKFAHMVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4OS/c1-3(7)5-8-6(12-10-5)4-2-13-11-9-4/h2-3H,1H3.
What are the key properties of 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-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 3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102661119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).