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

C5H3ClN4OS — CID 65214087

IUPAC2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2csnn2)o1
InChIInChI=1S/C5H3ClN4OS/c6-1-4-8-9-5(11-4)3-2-12-10-7-3/h2H,1H2
InChIKeyWKVALRGTSORYRC-UHFFFAOYSA-N
MW202.63 g/mol
LogP1.33
Rot. Bonds2

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

2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 65214087) has the molecular formula C5H3ClN4OS and a molecular weight of 202.63 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
PubChem CID65214087
Molecular FormulaC5H3ClN4OS
Molecular Weight202.63 g/mol
Exact Mass201.97
IUPAC Name2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2csnn2)o1
InChIInChI=1S/C5H3ClN4OS/c6-1-4-8-9-5(11-4)3-2-12-10-7-3/h2H,1H2
InChIKeyWKVALRGTSORYRC-UHFFFAOYSA-N
XLogP1.33
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.63
LogP ≤ 51.33
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-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole (CID 65214087) is 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole is ClCc1nnc(-c2csnn2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is WKVALRGTSORYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4OS/c6-1-4-8-9-5(11-4)3-2-12-10-7-3/h2H,1H2.
What are the key properties of 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 202.63 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(thiadiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 65214087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).