2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid

C15H20N2O2S — CID 82035191

IUPAC2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid
SMILESCC(C)(C)C1CCc2c(sc3nc(CC(=O)O)cn23)C1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)9-4-5-11-12(6-9)20-14-16-10(7-13(18)19)8-17(11)14/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyVTRMLLNZMGRVMS-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.17
Rot. Bonds2

About 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid

2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid (PubChem CID 82035191) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid
PubChem CID82035191
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid
SMILESCC(C)(C)C1CCc2c(sc3nc(CC(=O)O)cn23)C1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)9-4-5-11-12(6-9)20-14-16-10(7-13(18)19)8-17(11)14/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyVTRMLLNZMGRVMS-UHFFFAOYSA-N
XLogP3.17
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid?
The IUPAC name of 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid (CID 82035191) is 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid?
The canonical SMILES for 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid is CC(C)(C)C1CCc2c(sc3nc(CC(=O)O)cn23)C1.
What is the InChIKey of 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid?
The InChIKey is VTRMLLNZMGRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(2,3)9-4-5-11-12(6-9)20-14-16-10(7-13(18)19)8-17(11)14/h8-9H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid?
2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid has a molecular weight of 292.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid is sourced from PubChem (CID 82035191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).