N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

C10H7F3N2OS — CID 121028814

IUPACN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(C(F)(F)F)cccc2s1
InChIInChI=1S/C10H7F3N2OS/c1-5(16)14-9-15-8-6(10(11,12)13)3-2-4-7(8)17-9/h2-4H,1H3,(H,14,15,16)
InChIKeyQFZUYIRVVIGMPS-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.27
Rot. Bonds1

About N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 121028814) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID121028814
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(C(F)(F)F)cccc2s1
InChIInChI=1S/C10H7F3N2OS/c1-5(16)14-9-15-8-6(10(11,12)13)3-2-4-7(8)17-9/h2-4H,1H3,(H,14,15,16)
InChIKeyQFZUYIRVVIGMPS-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121028811
2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028941
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 121028883
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697
2-(4-propan-2-ylsulfanylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028805
4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide
CID 121028810
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
5-oxo-1-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 121028929
N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide
CID 146326494

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (CID 121028814) is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2c(C(F)(F)F)cccc2s1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is QFZUYIRVVIGMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-5(16)14-9-15-8-6(10(11,12)13)3-2-4-7(8)17-9/h2-4H,1H3,(H,14,15,16).
What are the key properties of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 260.24 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 121028814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).