2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H10ClF3N2O2S — CID 13027025

IUPAC2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)sc2ccc(Cl)cc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF3N2O2S/c17-10-4-5-13-12(7-10)22(15(24)25-13)8-14(23)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,23)
InChIKeyMZOMPHCSJLTDSW-UHFFFAOYSA-N
MW386.78 g/mol
LogP4.37
Rot. Bonds3

About 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 13027025) has the molecular formula C16H10ClF3N2O2S and a molecular weight of 386.78 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID13027025
Molecular FormulaC16H10ClF3N2O2S
Molecular Weight386.78 g/mol
Exact Mass386.01
IUPAC Name2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)sc2ccc(Cl)cc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF3N2O2S/c17-10-4-5-13-12(7-10)22(15(24)25-13)8-14(23)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,23)
InChIKeyMZOMPHCSJLTDSW-UHFFFAOYSA-N
XLogP4.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 13027025) is 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)sc2ccc(Cl)cc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MZOMPHCSJLTDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2S/c17-10-4-5-13-12(7-10)22(15(24)25-13)8-14(23)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,23).
What are the key properties of 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 386.78 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 13027025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).