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

C22H22N2O3S — CID 160685717

IUPAC5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCC(C)Oc1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1
InChIInChI=1S/C22H22N2O3S/c1-14(2)27-16-7-5-15(6-8-16)21-13-23-22(28-21)12-20(26)18-9-10-19(25)17-4-3-11-24(17)18/h3-8,11,13-14,18H,9-10,12H2,1-2H3
InChIKeyROSUWYQXUJKAPY-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.73
Rot. Bonds6

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

5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (PubChem CID 160685717) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
PubChem CID160685717
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCC(C)Oc1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1
InChIInChI=1S/C22H22N2O3S/c1-14(2)27-16-7-5-15(6-8-16)21-13-23-22(28-21)12-20(26)18-9-10-19(25)17-4-3-11-24(17)18/h3-8,11,13-14,18H,9-10,12H2,1-2H3
InChIKeyROSUWYQXUJKAPY-UHFFFAOYSA-N
XLogP4.73
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[5-[4-(2-methoxyphenyl)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
CID 159440731
N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 139330592
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 128766465
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894
tert-butyl (1R,5S)-3-[[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67424518
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
CID 82483342
trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-fluoro-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide
CID 51348815
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
CID 98019320
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 92736855

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (CID 160685717) is 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is CC(C)Oc1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1.
What is the InChIKey of 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is ROSUWYQXUJKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14(2)27-16-7-5-15(6-8-16)21-13-23-22(28-21)12-20(26)18-9-10-19(25)17-4-3-11-24(17)18/h3-8,11,13-14,18H,9-10,12H2,1-2H3.
What are the key properties of 5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 394.50 g/mol, XLogP of 4.73, 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-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 160685717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).