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

C15H10ClFN2OS — CID 132578588

IUPACN-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccc(F)c(Cl)c3)cc2s1
InChIInChI=1S/C15H10ClFN2OS/c1-8(20)18-15-19-13-5-3-10(7-14(13)21-15)9-2-4-12(17)11(16)6-9/h2-7H,1H3,(H,18,19,20)
InChIKeyOMZMZVPVJORRJN-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.71
Rot. Bonds2

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

N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 132578588) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID132578588
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC NameN-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccc(F)c(Cl)c3)cc2s1
InChIInChI=1S/C15H10ClFN2OS/c1-8(20)18-15-19-13-5-3-10(7-14(13)21-15)9-2-4-12(17)11(16)6-9/h2-7H,1H3,(H,18,19,20)
InChIKeyOMZMZVPVJORRJN-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 86240110
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
1-(3-chloro-4-fluorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiourea
CID 21008700
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide (CID 132578588) is N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccc(F)c(Cl)c3)cc2s1.
What is the InChIKey of N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is OMZMZVPVJORRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c1-8(20)18-15-19-13-5-3-10(7-14(13)21-15)9-2-4-12(17)11(16)6-9/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 320.78 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 132578588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).