5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one

C26H22N2O3S — CID 159440731

IUPAC5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCOc1ccccc1-c1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1
InChIInChI=1S/C26H22N2O3S/c1-31-24-7-3-2-5-19(24)17-8-10-18(11-9-17)25-16-27-26(32-25)15-23(30)21-12-13-22(29)20-6-4-14-28(20)21/h2-11,14,16,21H,12-13,15H2,1H3
InChIKeyLSDFMLJGVVGAFW-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.62
Rot. Bonds6

About 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one

5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (PubChem CID 159440731) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
PubChem CID159440731
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCOc1ccccc1-c1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1
InChIInChI=1S/C26H22N2O3S/c1-31-24-7-3-2-5-19(24)17-8-10-18(11-9-17)25-16-27-26(32-25)15-23(30)21-12-13-22(29)20-6-4-14-28(20)21/h2-11,14,16,21H,12-13,15H2,1H3
InChIKeyLSDFMLJGVVGAFW-UHFFFAOYSA-N
XLogP5.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one with MolForge

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Related Compounds

5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
CID 160685717
N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 139330592
N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 139330598
2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone
CID 133447415
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 128766465
(3S,8aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 171322080
[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134796455
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
[2-amino-5-(2-methoxyphenyl)-3-pyridinyl]methanol
CID 115037715
2-(2-methoxyphenyl)-1-methylpyrrole
CID 124706207
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (CID 159440731) is 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is COc1ccccc1-c1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1.
What is the InChIKey of 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is LSDFMLJGVVGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-31-24-7-3-2-5-19(24)17-8-10-18(11-9-17)25-16-27-26(32-25)15-23(30)21-12-13-22(29)20-6-4-14-28(20)21/h2-11,14,16,21H,12-13,15H2,1H3.
What are the key properties of 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 442.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 159440731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).