2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide

C20H20FN3O2S — CID 58276311

IUPAC2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cccc(OCCNCCc3cccc(F)c3)c2)n1
InChIInChI=1S/C20H20FN3O2S/c21-16-5-1-3-14(11-16)7-8-23-9-10-26-17-6-2-4-15(12-17)20-24-18(13-27-20)19(22)25/h1-6,11-13,23H,7-10H2,(H2,22,25)
InChIKeyFNJRBGQKJUWEGJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.26
Rot. Bonds9

About 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide

2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 58276311) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID58276311
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cccc(OCCNCCc3cccc(F)c3)c2)n1
InChIInChI=1S/C20H20FN3O2S/c21-16-5-1-3-14(11-16)7-8-23-9-10-26-17-6-2-4-15(12-17)20-24-18(13-27-20)19(22)25/h1-6,11-13,23H,7-10H2,(H2,22,25)
InChIKeyFNJRBGQKJUWEGJ-UHFFFAOYSA-N
XLogP3.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 58276311) is 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cccc(OCCNCCc3cccc(F)c3)c2)n1.
What is the InChIKey of 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FNJRBGQKJUWEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-16-5-1-3-14(11-16)7-8-23-9-10-26-17-6-2-4-15(12-17)20-24-18(13-27-20)19(22)25/h1-6,11-13,23H,7-10H2,(H2,22,25).
What are the key properties of 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide?
2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58276311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).