2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole

C22H16N4OS — CID 91488740

IUPAC2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
SMILESCc1cnc(-c2c(-c3nccs3)ccc(-c3ccccn3)c2-c2ccco2)[nH]1
InChIInChI=1S/C22H16N4OS/c1-14-13-25-21(26-14)20-16(22-24-10-12-28-22)8-7-15(17-5-2-3-9-23-17)19(20)18-6-4-11-27-18/h2-13H,1H3,(H,25,26)
InChIKeyIECPIVLRBQYGTQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.83
Rot. Bonds4

About 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole

2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole (PubChem CID 91488740) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
PubChem CID91488740
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
SMILESCc1cnc(-c2c(-c3nccs3)ccc(-c3ccccn3)c2-c2ccco2)[nH]1
InChIInChI=1S/C22H16N4OS/c1-14-13-25-21(26-14)20-16(22-24-10-12-28-22)8-7-15(17-5-2-3-9-23-17)19(20)18-6-4-11-27-18/h2-13H,1H3,(H,25,26)
InChIKeyIECPIVLRBQYGTQ-UHFFFAOYSA-N
XLogP5.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?
The IUPAC name of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole (CID 91488740) is 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole is Cc1cnc(-c2c(-c3nccs3)ccc(-c3ccccn3)c2-c2ccco2)[nH]1.
What is the InChIKey of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?
The InChIKey is IECPIVLRBQYGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-14-13-25-21(26-14)20-16(22-24-10-12-28-22)8-7-15(17-5-2-3-9-23-17)19(20)18-6-4-11-27-18/h2-13H,1H3,(H,25,26).
What are the key properties of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?
2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole has a molecular weight of 384.46 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole is sourced from PubChem (CID 91488740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).