1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

C23H17N5O2S — CID 155806587

IUPAC1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C23H17N5O2S/c1-29-14-7-5-13(6-8-14)19-20(22-25-16-4-3-11-24-21(16)27-22)28-17-10-9-15(30-2)12-18(17)31-23(28)26-19/h3-12H,1-2H3,(H,24,25,27)
InChIKeyJVYMFIUJWRQKPH-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.17
Rot. Bonds4

About 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 155806587) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID155806587
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C23H17N5O2S/c1-29-14-7-5-13(6-8-14)19-20(22-25-16-4-3-11-24-21(16)27-22)28-17-10-9-15(30-2)12-18(17)31-23(28)26-19/h3-12H,1-2H3,(H,24,25,27)
InChIKeyJVYMFIUJWRQKPH-UHFFFAOYSA-N
XLogP5.17
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 155806587) is 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2nc3sc4cc(OC)ccc4n3c2-c2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is JVYMFIUJWRQKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-29-14-7-5-13(6-8-14)19-20(22-25-16-4-3-11-24-21(16)27-22)28-17-10-9-15(30-2)12-18(17)31-23(28)26-19/h3-12H,1-2H3,(H,24,25,27).
What are the key properties of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 427.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 155806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).