2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide

C24H19N3O3S — CID 164607393

IUPAC2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1sc(C(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N3O3S/c1-15-21(17-6-3-2-4-7-17)27-24(31-15)20(28)14-16-9-11-18(12-10-16)30-23-19(22(25)29)8-5-13-26-23/h2-13H,14H2,1H3,(H2,25,29)
InChIKeyGXJXYXXUYIHYCK-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.83
Rot. Bonds7

About 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide

2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 164607393) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide
PubChem CID164607393
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1sc(C(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N3O3S/c1-15-21(17-6-3-2-4-7-17)27-24(31-15)20(28)14-16-9-11-18(12-10-16)30-23-19(22(25)29)8-5-13-26-23/h2-13H,14H2,1H3,(H2,25,29)
InChIKeyGXJXYXXUYIHYCK-UHFFFAOYSA-N
XLogP4.83
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide (CID 164607393) is 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide is Cc1sc(C(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is GXJXYXXUYIHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-15-21(17-6-3-2-4-7-17)27-24(31-15)20(28)14-16-9-11-18(12-10-16)30-23-19(22(25)29)8-5-13-26-23/h2-13H,14H2,1H3,(H2,25,29).
What are the key properties of 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxoethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 164607393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).