2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

C13H16N2S — CID 155891510

IUPAC2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESCC(C)(C)C1CN2C(=N1)Sc1ccccc12
InChIInChI=1S/C13H16N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h4-7,11H,8H2,1-3H3
InChIKeyUAPPJNKVYZLCEP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.38
Rot. Bonds

About 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 155891510) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID155891510
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESCC(C)(C)C1CN2C(=N1)Sc1ccccc12
InChIInChI=1S/C13H16N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h4-7,11H,8H2,1-3H3
InChIKeyUAPPJNKVYZLCEP-UHFFFAOYSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (CID 155891510) is 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is CC(C)(C)C1CN2C(=N1)Sc1ccccc12.
What is the InChIKey of 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is UAPPJNKVYZLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h4-7,11H,8H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 232.35 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 155891510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).