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

C9H10ClN3OS — CID 65199305

IUPAC2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(CCCCl)o2)cs1
InChIInChI=1S/C9H10ClN3OS/c1-6-11-7(5-15-6)9-13-12-8(14-9)3-2-4-10/h5H,2-4H2,1H3
InChIKeyJBNGNQFBXZDHFA-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.67
Rot. Bonds4

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

2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 65199305) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
PubChem CID65199305
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(CCCCl)o2)cs1
InChIInChI=1S/C9H10ClN3OS/c1-6-11-7(5-15-6)9-13-12-8(14-9)3-2-4-10/h5H,2-4H2,1H3
InChIKeyJBNGNQFBXZDHFA-UHFFFAOYSA-N
XLogP2.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 65200009
2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 106752784
2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
CID 43513413
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
2-(5-bromo-4-methylthiophen-2-yl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 79981773
2-(3-chloropropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 43513385
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 43513337
2-(3-chloropropyl)-5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 63209997
5-[5-(3-chloropropyl)-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 43513406
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 54852620
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 65199096

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole (CID 65199305) is 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole is Cc1nc(-c2nnc(CCCCl)o2)cs1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is JBNGNQFBXZDHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-6-11-7(5-15-6)9-13-12-8(14-9)3-2-4-10/h5H,2-4H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 243.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 65199305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).