6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C22H19N5O2S — CID 59473329

IUPAC6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc4ncsc4c3)cn3ccnc23)cc1OC
InChIInChI=1S/C22H19N5O2S/c1-3-29-18-7-5-15(11-19(18)28-2)25-21-22-23-8-9-27(22)12-17(26-21)14-4-6-16-20(10-14)30-13-24-16/h4-13H,3H2,1-2H3,(H,25,26)
InChIKeyCNINTZOYLOQARN-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.16
Rot. Bonds6

About 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473329) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473329
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc4ncsc4c3)cn3ccnc23)cc1OC
InChIInChI=1S/C22H19N5O2S/c1-3-29-18-7-5-15(11-19(18)28-2)25-21-22-23-8-9-27(22)12-17(26-21)14-4-6-16-20(10-14)30-13-24-16/h4-13H,3H2,1-2H3,(H,25,26)
InChIKeyCNINTZOYLOQARN-UHFFFAOYSA-N
XLogP5.16
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 59473329) is 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is CCOc1ccc(Nc2nc(-c3ccc4ncsc4c3)cn3ccnc23)cc1OC.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CNINTZOYLOQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-3-29-18-7-5-15(11-19(18)28-2)25-21-22-23-8-9-27(22)12-17(26-21)14-4-6-16-20(10-14)30-13-24-16/h4-13H,3H2,1-2H3,(H,25,26).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 417.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).