6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide

C23H18FN3O2S — CID 90626413

IUPAC6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cn1
InChIInChI=1S/C23H18FN3O2S/c1-2-29-21-12-11-15(13-25-21)22(28)26-19-10-6-4-8-17(19)20-14-30-23(27-20)16-7-3-5-9-18(16)24/h3-14H,2H2,1H3,(H,26,28)
InChIKeyIFYHGXUQVMHTBA-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.66
Rot. Bonds6

About 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide

6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide (PubChem CID 90626413) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide
PubChem CID90626413
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cn1
InChIInChI=1S/C23H18FN3O2S/c1-2-29-21-12-11-15(13-25-21)22(28)26-19-10-6-4-8-17(19)20-14-30-23(27-20)16-7-3-5-9-18(16)24/h3-14H,2H2,1H3,(H,26,28)
InChIKeyIFYHGXUQVMHTBA-UHFFFAOYSA-N
XLogP5.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide (CID 90626413) is 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cn1.
What is the InChIKey of 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is IFYHGXUQVMHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c1-2-29-21-12-11-15(13-25-21)22(28)26-19-10-6-4-8-17(19)20-14-30-23(27-20)16-7-3-5-9-18(16)24/h3-14H,2H2,1H3,(H,26,28).
What are the key properties of 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide?
6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90626413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).