methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate

C20H19FN2O7S — CID 153430865

IUPACmethyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
SMILESCOCCOCC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN2O7S/c1-27-5-6-29-9-17(24)30-11-23-8-14(13-4-3-12(21)7-16(13)23)18(25)19-22-15(10-31-19)20(26)28-2/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyRNJFJZJJQCZVBC-UHFFFAOYSA-N
MW450.44 g/mol
LogP2.42
Rot. Bonds10

About methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate

methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate (PubChem CID 153430865) has the molecular formula C20H19FN2O7S and a molecular weight of 450.44 g/mol. Its IUPAC name is methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
PubChem CID153430865
Molecular FormulaC20H19FN2O7S
Molecular Weight450.44 g/mol
Exact Mass450.09
IUPAC Namemethyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
SMILESCOCCOCC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN2O7S/c1-27-5-6-29-9-17(24)30-11-23-8-14(13-4-3-12(21)7-16(13)23)18(25)19-22-15(10-31-19)20(26)28-2/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyRNJFJZJJQCZVBC-UHFFFAOYSA-N
XLogP2.42
TPSA105.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)carbonyl]-1H-indol-1-yl}acetic acid
CID 11292212
ethyl [3-(2-thienylcarbonyl)-1H-indol-1-yl]acetate
CID 963211
[3-(Thiophene-2-carbonyl)-indol-1-yl]-acetic acid methyl ester
CID 651909
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
Ethyl 5-fluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2-carboxylate
CID 15979102
1-[6-Fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217432
1-[1-[(E)-but-2-enyl]-6-fluoroindol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217438
1-[6-Fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217472
1-[6-Fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217479
1-[6-Fluoro-1-(3-methylbut-2-enyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217526
cyclopropylmethyl 2-[2-amino-1-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 67395347

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate (CID 153430865) is methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate is COCCOCC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccc(F)cc21.
What is the InChIKey of methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
The InChIKey is RNJFJZJJQCZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O7S/c1-27-5-6-29-9-17(24)30-11-23-8-14(13-4-3-12(21)7-16(13)23)18(25)19-22-15(10-31-19)20(26)28-2/h3-4,7-8,10H,5-6,9,11H2,1-2H3.
What are the key properties of methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate has a molecular weight of 450.44 g/mol, XLogP of 2.42, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-fluoro-1-[[2-(2-methoxyethoxy)acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 153430865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).