2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H12ClFN2O2S — CID 2085098

IUPAC2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1
InChIInChI=1S/C16H12ClFN2O2S/c1-22-9-5-6-13-14(7-9)23-16(19-13)20-15(21)8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyMBHLPBMHXHTDKA-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.28
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2085098) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID2085098
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1
InChIInChI=1S/C16H12ClFN2O2S/c1-22-9-5-6-13-14(7-9)23-16(19-13)20-15(21)8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyMBHLPBMHXHTDKA-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 4206727
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 2085098) is 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is MBHLPBMHXHTDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c1-22-9-5-6-13-14(7-9)23-16(19-13)20-15(21)8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 350.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2085098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).