[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate

C20H15FN2O2S — CID 8892468

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15FN2O2S/c21-15-7-5-13(6-8-15)20-23-16(12-26-20)11-25-19(24)9-14-10-22-18-4-2-1-3-17(14)18/h1-8,10,12,22H,9,11H2
InChIKeyAMEOIIHVSSTQMV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.72
Rot. Bonds5

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate (PubChem CID 8892468) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
PubChem CID8892468
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15FN2O2S/c21-15-7-5-13(6-8-15)20-23-16(12-26-20)11-25-19(24)9-14-10-22-18-4-2-1-3-17(14)18/h1-8,10,12,22H,9,11H2
InChIKeyAMEOIIHVSSTQMV-UHFFFAOYSA-N
XLogP4.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(1H-indol-3-yl)acetate
CID 16869748
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 7666371
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 31433005
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1H-indol-3-yl)propanoate
CID 4855143
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 18208076
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 42895093
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110406906
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate
CID 8907506
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate
CID 4561051

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate (CID 8892468) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The InChIKey is AMEOIIHVSSTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c21-15-7-5-13(6-8-15)20-23-16(12-26-20)11-25-19(24)9-14-10-22-18-4-2-1-3-17(14)18/h1-8,10,12,22H,9,11H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate has a molecular weight of 366.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 8892468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).