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

C10H13ClN4OS — CID 102661118

IUPAC5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2snnc2C(C)(C)C)n1
InChIInChI=1S/C10H13ClN4OS/c1-5(11)8-12-9(16-14-8)6-7(10(2,3)4)13-15-17-6/h5H,1-4H3
InChIKeyYPADCBLLLCBCCV-UHFFFAOYSA-N
MW272.76 g/mol
LogP3.19
Rot. Bonds2

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

5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole (PubChem CID 102661118) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole
PubChem CID102661118
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2snnc2C(C)(C)C)n1
InChIInChI=1S/C10H13ClN4OS/c1-5(11)8-12-9(16-14-8)6-7(10(2,3)4)13-15-17-6/h5H,1-4H3
InChIKeyYPADCBLLLCBCCV-UHFFFAOYSA-N
XLogP3.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 53.19
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

1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096520
N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65207621
3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 102661119
3-(1-chloroethyl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 102661099
5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096276
1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65206143
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
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
CID 102660924

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole (CID 102661118) is 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2snnc2C(C)(C)C)n1.
What is the InChIKey of 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
The InChIKey is YPADCBLLLCBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c1-5(11)8-12-9(16-14-8)6-7(10(2,3)4)13-15-17-6/h5H,1-4H3.
What are the key properties of 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole has a molecular weight of 272.76 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylthiadiazol-5-yl)-3-(1-chloroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102661118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).