[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

C18H15FN2O3S — CID 2447938

IUPAC[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCc1ccc2nc(NC(=O)COC(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C18H15FN2O3S/c1-11-2-7-14-15(8-11)25-18(20-14)21-16(22)10-24-17(23)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyZHNPEBCYRIIZJZ-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.47
Rot. Bonds5

About [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 2447938) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID2447938
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCc1ccc2nc(NC(=O)COC(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C18H15FN2O3S/c1-11-2-7-14-15(8-11)25-18(20-14)21-16(22)10-24-17(23)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyZHNPEBCYRIIZJZ-UHFFFAOYSA-N
XLogP3.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 2447938) is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is Cc1ccc2nc(NC(=O)COC(=O)Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is ZHNPEBCYRIIZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-11-2-7-14-15(8-11)25-18(20-14)21-16(22)10-24-17(23)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,21,22).
What are the key properties of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 358.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 2447938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).