N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

C24H20FN3O3S — CID 86888852

IUPACN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccco2)s1)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C24H20FN3O3S/c1-15(27-23(30)21-14-26-24(32-21)20-10-5-11-31-20)16-7-4-8-18(12-16)28-22(29)13-17-6-2-3-9-19(17)25/h2-12,14-15H,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyUCAOMHXWVKRFQC-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.21
Rot. Bonds7

About N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 86888852) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID86888852
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccco2)s1)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C24H20FN3O3S/c1-15(27-23(30)21-14-26-24(32-21)20-10-5-11-31-20)16-7-4-8-18(12-16)28-22(29)13-17-6-2-3-9-19(17)25/h2-12,14-15H,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyUCAOMHXWVKRFQC-UHFFFAOYSA-N
XLogP5.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (CID 86888852) is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cnc(-c2ccco2)s1)c1cccc(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UCAOMHXWVKRFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-15(27-23(30)21-14-26-24(32-21)20-10-5-11-31-20)16-7-4-8-18(12-16)28-22(29)13-17-6-2-3-9-19(17)25/h2-12,14-15H,13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86888852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).