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

C15H10ClFN2OS — CID 2085004

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1nc2ccccc2s1
InChIInChI=1S/C15H10ClFN2OS/c16-10-4-3-5-11(17)9(10)8-14(20)19-15-18-12-6-1-2-7-13(12)21-15/h1-7H,8H2,(H,18,19,20)
InChIKeyWRYJRNFOFJKHMJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.27
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 2085004) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID2085004
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1nc2ccccc2s1
InChIInChI=1S/C15H10ClFN2OS/c16-10-4-3-5-11(17)9(10)8-14(20)19-15-18-12-6-1-2-7-13(12)21-15/h1-7H,8H2,(H,18,19,20)
InChIKeyWRYJRNFOFJKHMJ-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LH-846
CID 851474
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
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CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(1,3-Benzothiazol-2-YL)-2,4-dichlorobenzamide
CID 739902
Casein kinase 1|A-IN-6
CID 77106258
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
N-(6-Aminobenzo[d]thiazol-2-yl)cyclohexanecarboxamide
CID 834590
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 2085004) is N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is WRYJRNFOFJKHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c16-10-4-3-5-11(17)9(10)8-14(20)19-15-18-12-6-1-2-7-13(12)21-15/h1-7H,8H2,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 2085004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).