2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C13H18N2S — CID 15555896

IUPAC2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCC(C)(C)c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C13H18N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h8H,4-7H2,1-3H3
InChIKeyPMJSFKLYXZBEAF-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.57
Rot. Bonds

About 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 15555896) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID15555896
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCC(C)(C)c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C13H18N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h8H,4-7H2,1-3H3
InChIKeyPMJSFKLYXZBEAF-UHFFFAOYSA-N
XLogP3.57
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 15555896) is 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is CC(C)(C)c1cn2c3c(sc2n1)CCCC3.
What is the InChIKey of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is PMJSFKLYXZBEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 234.37 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 15555896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).