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

C24H19FN4O3S — CID 142516319

IUPAC2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O3S/c1-14-21(16-6-8-17(25)9-7-16)29-24(33-14)28-20(30)13-15-4-10-18(11-5-15)32-23-19(22(26)31)3-2-12-27-23/h2-12H,13H2,1H3,(H2,26,31)(H,28,29,30)
InChIKeyZUDVUEMPJYSALR-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.73
Rot. Bonds7

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

2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 142516319) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
PubChem CID142516319
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O3S/c1-14-21(16-6-8-17(25)9-7-16)29-24(33-14)28-20(30)13-15-4-10-18(11-5-15)32-23-19(22(26)31)3-2-12-27-23/h2-12H,13H2,1H3,(H2,26,31)(H,28,29,30)
InChIKeyZUDVUEMPJYSALR-UHFFFAOYSA-N
XLogP4.73
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (CID 142516319) is 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is ZUDVUEMPJYSALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c1-14-21(16-6-8-17(25)9-7-16)29-24(33-14)28-20(30)13-15-4-10-18(11-5-15)32-23-19(22(26)31)3-2-12-27-23/h2-12H,13H2,1H3,(H2,26,31)(H,28,29,30).
What are the key properties of 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 142516319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).