2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

C16H10ClF3N2OS — CID 77106258

IUPAC2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C16H10ClF3N2OS/c17-11-3-1-2-9(6-11)7-14(23)22-15-21-12-5-4-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
InChIKeyOFFILALBDDWJHK-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.15
Rot. Bonds3

About 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 77106258) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID77106258
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C16H10ClF3N2OS/c17-11-3-1-2-9(6-11)7-14(23)22-15-21-12-5-4-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
InChIKeyOFFILALBDDWJHK-UHFFFAOYSA-N
XLogP5.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.15
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)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
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
6-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3-benzothiazole-2,6-dicarboxamide
CID 17960401
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-benzothiazol-2-yl)-3-(trichloromethyl)benzamide
CID 1037067
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (CID 77106258) is 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is OFFILALBDDWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-11-3-1-2-9(6-11)7-14(23)22-15-21-12-5-4-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 370.78 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 77106258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).