[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

C19H17FN2O4S — CID 8661243

IUPAC[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCCOc1ccc2nc(NC(=O)COC(=O)Cc3ccccc3F)sc2c1
InChIInChI=1S/C19H17FN2O4S/c1-2-25-13-7-8-15-16(10-13)27-19(21-15)22-17(23)11-26-18(24)9-12-5-3-4-6-14(12)20/h3-8,10H,2,9,11H2,1H3,(H,21,22,23)
InChIKeyFNTWSZRIZHFRLL-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.56
Rot. Bonds7

About [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 8661243) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID8661243
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCCOc1ccc2nc(NC(=O)COC(=O)Cc3ccccc3F)sc2c1
InChIInChI=1S/C19H17FN2O4S/c1-2-25-13-7-8-15-16(10-13)27-19(21-15)22-17(23)11-26-18(24)9-12-5-3-4-6-14(12)20/h3-8,10H,2,9,11H2,1H3,(H,21,22,23)
InChIKeyFNTWSZRIZHFRLL-UHFFFAOYSA-N
XLogP3.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate with MolForge

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Related Compounds

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524229
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2393453
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 5197177
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzamidopropanoate
CID 4001566
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
trans-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019883
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 23829632
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509

Frequently Asked Questions

What is the IUPAC name of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 8661243) is [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is CCOc1ccc2nc(NC(=O)COC(=O)Cc3ccccc3F)sc2c1.
What is the InChIKey of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is FNTWSZRIZHFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-2-25-13-7-8-15-16(10-13)27-19(21-15)22-17(23)11-26-18(24)9-12-5-3-4-6-14(12)20/h3-8,10H,2,9,11H2,1H3,(H,21,22,23).
What are the key properties of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 388.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 8661243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).