5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide

C22H18FN3O2S — CID 56518503

IUPAC5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H18FN3O2S/c23-17-5-3-16(4-6-17)19-7-8-20(28-19)22(27)25-11-1-2-21-26-18(14-29-21)15-9-12-24-13-10-15/h3-10,12-14H,1-2,11H2,(H,25,27)
InChIKeySHBZSDGULDHXSA-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.97
Rot. Bonds7

About 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide (PubChem CID 56518503) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide
PubChem CID56518503
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H18FN3O2S/c23-17-5-3-16(4-6-17)19-7-8-20(28-19)22(27)25-11-1-2-21-26-18(14-29-21)15-9-12-24-13-10-15/h3-10,12-14H,1-2,11H2,(H,25,27)
InChIKeySHBZSDGULDHXSA-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-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 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide (CID 56518503) is 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide is O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide?
The InChIKey is SHBZSDGULDHXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-17-5-3-16(4-6-17)19-7-8-20(28-19)22(27)25-11-1-2-21-26-18(14-29-21)15-9-12-24-13-10-15/h3-10,12-14H,1-2,11H2,(H,25,27).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 56518503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).