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

C7H6ClN3OS — CID 65200009

IUPAC2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(CCl)o2)cs1
InChIInChI=1S/C7H6ClN3OS/c1-4-9-5(3-13-4)7-11-10-6(2-8)12-7/h3H,2H2,1H3
InChIKeyPEEBLTRBKFWSNQ-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.24
Rot. Bonds2

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

2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 65200009) has the molecular formula C7H6ClN3OS and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
PubChem CID65200009
Molecular FormulaC7H6ClN3OS
Molecular Weight215.66 g/mol
Exact Mass214.99
IUPAC Name2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(CCl)o2)cs1
InChIInChI=1S/C7H6ClN3OS/c1-4-9-5(3-13-4)7-11-10-6(2-8)12-7/h3H,2H2,1H3
InChIKeyPEEBLTRBKFWSNQ-UHFFFAOYSA-N
XLogP2.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole (CID 65200009) is 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole is Cc1nc(-c2nnc(CCl)o2)cs1.
What is the InChIKey of 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is PEEBLTRBKFWSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c1-4-9-5(3-13-4)7-11-10-6(2-8)12-7/h3H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 215.66 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 65200009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).