5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole

C20H13N3S — CID 59282860

IUPAC5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole
SMILESc1ccn2cc(-c3ccc(-c4ccc5scnc5c4)cc3)nc2c1
InChIInChI=1S/C20H13N3S/c1-2-10-23-12-18(22-20(23)3-1)15-6-4-14(5-7-15)16-8-9-19-17(11-16)21-13-24-19/h1-13H
InChIKeyJZTUZDNPGZLMMP-UHFFFAOYSA-N
MW327.41 g/mol
LogP5.28
Rot. Bonds2

About 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole

5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole (PubChem CID 59282860) has the molecular formula C20H13N3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole
PubChem CID59282860
Molecular FormulaC20H13N3S
Molecular Weight327.41 g/mol
Exact Mass327.08
IUPAC Name5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole
SMILESc1ccn2cc(-c3ccc(-c4ccc5scnc5c4)cc3)nc2c1
InChIInChI=1S/C20H13N3S/c1-2-10-23-12-18(22-20(23)3-1)15-6-4-14(5-7-15)16-8-9-19-17(11-16)21-13-24-19/h1-13H
InChIKeyJZTUZDNPGZLMMP-UHFFFAOYSA-N
XLogP5.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole?
The IUPAC name of 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole (CID 59282860) is 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole?
The canonical SMILES for 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole is c1ccn2cc(-c3ccc(-c4ccc5scnc5c4)cc3)nc2c1.
What is the InChIKey of 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole?
The InChIKey is JZTUZDNPGZLMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3S/c1-2-10-23-12-18(22-20(23)3-1)15-6-4-14(5-7-15)16-8-9-19-17(11-16)21-13-24-19/h1-13H.
What are the key properties of 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole?
5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole has a molecular weight of 327.41 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 59282860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).