5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole

C13H13N3OS — CID 2821819

IUPAC5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole
SMILESCC(C)(C)c1csc(-c2ccc3nonc3c2)n1
InChIInChI=1S/C13H13N3OS/c1-13(2,3)11-7-18-12(14-11)8-4-5-9-10(6-8)16-17-15-9/h4-7H,1-3H3
InChIKeyFTSXESKEVGXXHL-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.64
Rot. Bonds1

About 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole

5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole (PubChem CID 2821819) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole
PubChem CID2821819
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole
SMILESCC(C)(C)c1csc(-c2ccc3nonc3c2)n1
InChIInChI=1S/C13H13N3OS/c1-13(2,3)11-7-18-12(14-11)8-4-5-9-10(6-8)16-17-15-9/h4-7H,1-3H3
InChIKeyFTSXESKEVGXXHL-UHFFFAOYSA-N
XLogP3.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole?
The IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole (CID 2821819) is 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole?
The canonical SMILES for 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole is CC(C)(C)c1csc(-c2ccc3nonc3c2)n1.
What is the InChIKey of 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole?
The InChIKey is FTSXESKEVGXXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-13(2,3)11-7-18-12(14-11)8-4-5-9-10(6-8)16-17-15-9/h4-7H,1-3H3.
What are the key properties of 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole?
5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole has a molecular weight of 259.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-1,3-thiazol-2-yl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 2821819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).