methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate

C23H19F3N2O5S — CID 157354074

IUPACmethyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O5S/c1-32-22(31)20-21(13-4-6-14(7-5-13)33-12-23(24,25)26)34-19(27-20)11-18(30)16-8-9-17(29)15-3-2-10-28(15)16/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyBHWINSMHSWTFBV-UHFFFAOYSA-N
MW492.48 g/mol
LogP4.67
Rot. Bonds7

About methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate

methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate (PubChem CID 157354074) has the molecular formula C23H19F3N2O5S and a molecular weight of 492.48 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate
PubChem CID157354074
Molecular FormulaC23H19F3N2O5S
Molecular Weight492.48 g/mol
Exact Mass492.10
IUPAC Namemethyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O5S/c1-32-22(31)20-21(13-4-6-14(7-5-13)33-12-23(24,25)26)34-19(27-20)11-18(30)16-8-9-17(29)15-3-2-10-28(15)16/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyBHWINSMHSWTFBV-UHFFFAOYSA-N
XLogP4.67
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

3-[4-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoic acid
CID 10238968
Ethyl 9-(difluoromethoxy)-8-methoxy-1-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 58147717
2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone
CID 58318785
Methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate
CID 59113684
4-(2-Ethoxy-1,3-thiazol-4-yl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212601
4-(3-Ethoxyphenyl)-1-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71229878
2,2-Difluoroethyl 5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 91369299
[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118891980
5-Methyl-4-[3-(1,3-thiazol-2-yl)butan-2-yl]-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrole-2-carboxylic acid
CID 123327932
N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 139330585
methyl 2-[(8-oxo-6,7-dihydro-5H-indolizine-5-carbonyl)amino]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate
CID 142623987
N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 142623994

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate (CID 157354074) is methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(CC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate?
The InChIKey is BHWINSMHSWTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O5S/c1-32-22(31)20-21(13-4-6-14(7-5-13)33-12-23(24,25)26)34-19(27-20)11-18(30)16-8-9-17(29)15-3-2-10-28(15)16/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate?
methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate has a molecular weight of 492.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 157354074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).