2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C10H7F3N2OS — CID 34555190

IUPAC2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)C(F)(F)F)nc12
InChIInChI=1S/C10H7F3N2OS/c1-5-3-2-4-6-7(5)14-9(17-6)15-8(16)10(11,12)13/h2-4H,1H3,(H,14,15,16)
InChIKeyFXDSKQROTWOROJ-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.11
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 34555190) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID34555190
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)C(F)(F)F)nc12
InChIInChI=1S/C10H7F3N2OS/c1-5-3-2-4-6-7(5)14-9(17-6)15-8(16)10(11,12)13/h2-4H,1H3,(H,14,15,16)
InChIKeyFXDSKQROTWOROJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 59232817
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882
(E)-N-(4-methyl-1,3-benzothiazol-2-yl)but-2-enamide
CID 110459733
1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 993023
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 34555190) is 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)C(F)(F)F)nc12.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FXDSKQROTWOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-5-3-2-4-6-7(5)14-9(17-6)15-8(16)10(11,12)13/h2-4H,1H3,(H,14,15,16).
What are the key properties of 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 260.24 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 34555190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).