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

C25H25N3O4S — CID 71292836

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
SMILESO=C(CN1CCCC1=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C25H25N3O4S/c29-23(16-28-12-4-7-24(28)30)26-14-20-15-27-25(33-20)31-19-9-11-22-18(13-19)8-10-21(32-22)17-5-2-1-3-6-17/h1-3,5-6,9,11,13,15,21H,4,7-8,10,12,14,16H2,(H,26,29)
InChIKeyNBDCVIITWDMRNO-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.24
Rot. Bonds7

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

2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 71292836) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID71292836
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
SMILESO=C(CN1CCCC1=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C25H25N3O4S/c29-23(16-28-12-4-7-24(28)30)26-14-20-15-27-25(33-20)31-19-9-11-22-18(13-19)8-10-21(32-22)17-5-2-1-3-6-17/h1-3,5-6,9,11,13,15,21H,4,7-8,10,12,14,16H2,(H,26,29)
InChIKeyNBDCVIITWDMRNO-UHFFFAOYSA-N
XLogP4.24
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide (CID 71292836) is 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide is O=C(CN1CCCC1=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is NBDCVIITWDMRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c29-23(16-28-12-4-7-24(28)30)26-14-20-15-27-25(33-20)31-19-9-11-22-18(13-19)8-10-21(32-22)17-5-2-1-3-6-17/h1-3,5-6,9,11,13,15,21H,4,7-8,10,12,14,16H2,(H,26,29).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71292836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).