2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile

C19H14N6OS — CID 118902667

IUPAC2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCNc1c(-c2cn3c(n2)sc2ccc(OC)cc23)nc2cc(C#N)ccn12
InChIInChI=1S/C19H14N6OS/c1-21-18-17(23-16-7-11(9-20)5-6-24(16)18)13-10-25-14-8-12(26-2)3-4-15(14)27-19(25)22-13/h3-8,10,21H,1-2H3
InChIKeyNHHKJCILLIECAB-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.79
Rot. Bonds3

About 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile

2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 118902667) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID118902667
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCNc1c(-c2cn3c(n2)sc2ccc(OC)cc23)nc2cc(C#N)ccn12
InChIInChI=1S/C19H14N6OS/c1-21-18-17(23-16-7-11(9-20)5-6-24(16)18)13-10-25-14-8-12(26-2)3-4-15(14)27-19(25)22-13/h3-8,10,21H,1-2H3
InChIKeyNHHKJCILLIECAB-UHFFFAOYSA-N
XLogP3.79
TPSA79.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
The IUPAC name of 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile (CID 118902667) is 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile.
What is the SMILES notation for 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
The canonical SMILES for 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile is CNc1c(-c2cn3c(n2)sc2ccc(OC)cc23)nc2cc(C#N)ccn12.
What is the InChIKey of 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is NHHKJCILLIECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c1-21-18-17(23-16-7-11(9-20)5-6-24(16)18)13-10-25-14-8-12(26-2)3-4-15(14)27-19(25)22-13/h3-8,10,21H,1-2H3.
What are the key properties of 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 374.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 118902667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).