N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H9ClF3N3OS — CID 79260734

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C11H9ClF3N3OS/c12-6-1-2-7-10(17-5-20-7)9(6)18-8(19)3-16-4-11(13,14)15/h1-2,5,16H,3-4H2,(H,18,19)
InChIKeyLVJHPMMFKPXHPE-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.04
Rot. Bonds4

About N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260734) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260734
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C11H9ClF3N3OS/c12-6-1-2-7-10(17-5-20-7)9(6)18-8(19)3-16-4-11(13,14)15/h1-2,5,16H,3-4H2,(H,18,19)
InChIKeyLVJHPMMFKPXHPE-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260734) is N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1c(Cl)ccc2scnc12.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LVJHPMMFKPXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3OS/c12-6-1-2-7-10(17-5-20-7)9(6)18-8(19)3-16-4-11(13,14)15/h1-2,5,16H,3-4H2,(H,18,19).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 323.73 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).