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

C25H23N3O3S — CID 71292777

IUPAC4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one
SMILESO=c1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cc[nH]1
InChIInChI=1S/C25H23N3O3S/c29-24-12-17(10-11-27-24)14-26-15-21-16-28-25(32-21)30-20-7-9-23-19(13-20)6-8-22(31-23)18-4-2-1-3-5-18/h1-5,7,9-13,16,22,26H,6,8,14-15H2,(H,27,29)
InChIKeyODSQDMSLCJUTCV-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.98
Rot. Bonds7

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

4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one (PubChem CID 71292777) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one
PubChem CID71292777
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one
SMILESO=c1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cc[nH]1
InChIInChI=1S/C25H23N3O3S/c29-24-12-17(10-11-27-24)14-26-15-21-16-28-25(32-21)30-20-7-9-23-19(13-20)6-8-22(31-23)18-4-2-1-3-5-18/h1-5,7,9-13,16,22,26H,6,8,14-15H2,(H,27,29)
InChIKeyODSQDMSLCJUTCV-UHFFFAOYSA-N
XLogP4.98
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one (CID 71292777) is 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one is O=c1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cc[nH]1.
What is the InChIKey of 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one?
The InChIKey is ODSQDMSLCJUTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-24-12-17(10-11-27-24)14-26-15-21-16-28-25(32-21)30-20-7-9-23-19(13-20)6-8-22(31-23)18-4-2-1-3-5-18/h1-5,7,9-13,16,22,26H,6,8,14-15H2,(H,27,29).
What are the key properties of 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one?
4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one has a molecular weight of 445.54 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 71292777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).