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

C26H23N3O3S — CID 71292817

IUPACN-[[2-[(2-phenyl-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(c2ccccc2)O3)s1
InChIInChI=1S/C26H23N3O3S/c30-25(14-18-10-12-27-13-11-18)28-16-22-17-29-26(33-22)31-21-7-9-24-20(15-21)6-8-23(32-24)19-4-2-1-3-5-19/h1-5,7,9-13,15,17,23H,6,8,14,16H2,(H,28,30)
InChIKeyCFDWZNMVZNRDGW-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.26
Rot. Bonds7

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

N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide (PubChem CID 71292817) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide
PubChem CID71292817
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC NameN-[[2-[(2-phenyl-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(c2ccccc2)O3)s1
InChIInChI=1S/C26H23N3O3S/c30-25(14-18-10-12-27-13-11-18)28-16-22-17-29-26(33-22)31-21-7-9-24-20(15-21)6-8-23(32-24)19-4-2-1-3-5-19/h1-5,7,9-13,15,17,23H,6,8,14,16H2,(H,28,30)
InChIKeyCFDWZNMVZNRDGW-UHFFFAOYSA-N
XLogP5.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-phenyl-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-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide (CID 71292817) is N-[[2-[(2-phenyl-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-phenyl-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-phenyl-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(c2ccccc2)O3)s1.
What is the InChIKey of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide?
The InChIKey is CFDWZNMVZNRDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-25(14-18-10-12-27-13-11-18)28-16-22-17-29-26(33-22)31-21-7-9-24-20(15-21)6-8-23(32-24)19-4-2-1-3-5-19/h1-5,7,9-13,15,17,23H,6,8,14,16H2,(H,28,30).
What are the key properties of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide?
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide has a molecular weight of 457.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 71292817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).