N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

C15H10ClFN2OS — CID 2109067

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H10ClFN2OS/c16-10-3-6-12-13(8-10)21-15(18-12)19-14(20)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2,(H,18,19,20)
InChIKeyBTGJSIZQWKLFDR-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.27
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 2109067) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID2109067
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H10ClFN2OS/c16-10-3-6-12-13(8-10)21-15(18-12)19-14(20)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2,(H,18,19,20)
InChIKeyBTGJSIZQWKLFDR-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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600565
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2-(4-fluorophenyl)-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
CID 108766099
2-(4-fluorophenyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4047016
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 2109067) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is BTGJSIZQWKLFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c16-10-3-6-12-13(8-10)21-15(18-12)19-14(20)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2,(H,18,19,20).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-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-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2109067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).