2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

C26H24N6OS — CID 58094807

IUPAC2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESC=Cc1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn(C5CCCCO5)n4)s3)n2c1
InChIInChI=1S/C26H24N6OS/c1-3-18-12-13-20-28-17(2)23(31(20)15-18)26-29-22(19-9-5-4-6-10-19)24(34-26)25-27-16-32(30-25)21-11-7-8-14-33-21/h3-6,9-10,12-13,15-16,21H,1,7-8,11,14H2,2H3
InChIKeyRZULMXZRPDOFJO-UHFFFAOYSA-N
MW468.59 g/mol
LogP6.03
Rot. Bonds5

About 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 58094807) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
PubChem CID58094807
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC Name2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESC=Cc1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn(C5CCCCO5)n4)s3)n2c1
InChIInChI=1S/C26H24N6OS/c1-3-18-12-13-20-28-17(2)23(31(20)15-18)26-29-22(19-9-5-4-6-10-19)24(34-26)25-27-16-32(30-25)21-11-7-8-14-33-21/h3-6,9-10,12-13,15-16,21H,1,7-8,11,14H2,2H3
InChIKeyRZULMXZRPDOFJO-UHFFFAOYSA-N
XLogP6.03
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (CID 58094807) is 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is C=Cc1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn(C5CCCCO5)n4)s3)n2c1.
What is the InChIKey of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The InChIKey is RZULMXZRPDOFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c1-3-18-12-13-20-28-17(2)23(31(20)15-18)26-29-22(19-9-5-4-6-10-19)24(34-26)25-27-16-32(30-25)21-11-7-8-14-33-21/h3-6,9-10,12-13,15-16,21H,1,7-8,11,14H2,2H3.
What are the key properties of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 468.59 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 58094807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).