N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide

C26H22FN3O3S — CID 71292907

IUPACN-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1
InChIInChI=1S/C26H22FN3O3S/c27-20-3-1-2-18(13-20)23-6-4-19-14-21(5-7-24(19)33-23)32-26-30-16-22(34-26)15-29-25(31)12-17-8-10-28-11-9-17/h1-3,5,7-11,13-14,16,23H,4,6,12,15H2,(H,29,31)
InChIKeyPLOQZFWSZROTIN-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.39
Rot. Bonds7

About N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide

N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide (PubChem CID 71292907) has the molecular formula C26H22FN3O3S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide
PubChem CID71292907
Molecular FormulaC26H22FN3O3S
Molecular Weight475.55 g/mol
Exact Mass475.14
IUPAC NameN-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1
InChIInChI=1S/C26H22FN3O3S/c27-20-3-1-2-18(13-20)23-6-4-19-14-21(5-7-24(19)33-23)32-26-30-16-22(34-26)15-29-25(31)12-17-8-10-28-11-9-17/h1-3,5,7-11,13-14,16,23H,4,6,12,15H2,(H,29,31)
InChIKeyPLOQZFWSZROTIN-UHFFFAOYSA-N
XLogP5.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide (CID 71292907) is N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1.
What is the InChIKey of N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide?
The InChIKey is PLOQZFWSZROTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3S/c27-20-3-1-2-18(13-20)23-6-4-19-14-21(5-7-24(19)33-23)32-26-30-16-22(34-26)15-29-25(31)12-17-8-10-28-11-9-17/h1-3,5,7-11,13-14,16,23H,4,6,12,15H2,(H,29,31).
What are the key properties of N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide?
N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide has a molecular weight of 475.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 71292907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).