5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine

C23H19N5S — CID 58207947

IUPAC5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1cc(-c2cnc(NCc3ccccn3)s2)cn2ccnc12
InChIInChI=1S/C23H19N5S/c1-16-6-2-3-8-19(16)20-12-17(15-28-11-10-25-22(20)28)21-14-27-23(29-21)26-13-18-7-4-5-9-24-18/h2-12,14-15H,13H2,1H3,(H,26,27)
InChIKeySNCZOUGRVAQKHE-UHFFFAOYSA-N
MW397.51 g/mol
LogP5.44
Rot. Bonds5

About 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine

5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 58207947) has the molecular formula C23H19N5S and a molecular weight of 397.51 g/mol. Its IUPAC name is 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID58207947
Molecular FormulaC23H19N5S
Molecular Weight397.51 g/mol
Exact Mass397.14
IUPAC Name5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1cc(-c2cnc(NCc3ccccn3)s2)cn2ccnc12
InChIInChI=1S/C23H19N5S/c1-16-6-2-3-8-19(16)20-12-17(15-28-11-10-25-22(20)28)21-14-27-23(29-21)26-13-18-7-4-5-9-24-18/h2-12,14-15H,13H2,1H3,(H,26,27)
InChIKeySNCZOUGRVAQKHE-UHFFFAOYSA-N
XLogP5.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine (CID 58207947) is 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine is Cc1ccccc1-c1cc(-c2cnc(NCc3ccccn3)s2)cn2ccnc12.
What is the InChIKey of 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is SNCZOUGRVAQKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5S/c1-16-6-2-3-8-19(16)20-12-17(15-28-11-10-25-22(20)28)21-14-27-23(29-21)26-13-18-7-4-5-9-24-18/h2-12,14-15H,13H2,1H3,(H,26,27).
What are the key properties of 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 397.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58207947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).