2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole

C23H20N2O3S — CID 141261492

IUPAC2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2nc(-c3ccccc3)sc2-c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O3S/c1-26-18-13-17(14-19(27-2)21(18)28-3)20-22(15-9-11-24-12-10-15)29-23(25-20)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyUDDIDUNKEJKASC-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.56
Rot. Bonds6

About 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole

2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole (PubChem CID 141261492) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
PubChem CID141261492
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2nc(-c3ccccc3)sc2-c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O3S/c1-26-18-13-17(14-19(27-2)21(18)28-3)20-22(15-9-11-24-12-10-15)29-23(25-20)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyUDDIDUNKEJKASC-UHFFFAOYSA-N
XLogP5.56
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole (CID 141261492) is 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole is COc1cc(-c2nc(-c3ccccc3)sc2-c2ccncc2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The InChIKey is UDDIDUNKEJKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-26-18-13-17(14-19(27-2)21(18)28-3)20-22(15-9-11-24-12-10-15)29-23(25-20)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole has a molecular weight of 404.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 141261492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).