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

C16H10ClF3N2O2S — CID 77106872

IUPAC2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C16H10ClF3N2O2S/c17-10-3-1-2-9(6-10)7-14(23)22-15-21-12-5-4-11(8-13(12)25-15)24-16(18,19)20/h1-6,8H,7H2,(H,21,22,23)
InChIKeyUJDZOHOQANPPGS-UHFFFAOYSA-N
MW386.78 g/mol
LogP5.03
Rot. Bonds4

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

2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 77106872) has the molecular formula C16H10ClF3N2O2S and a molecular weight of 386.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
PubChem CID77106872
Molecular FormulaC16H10ClF3N2O2S
Molecular Weight386.78 g/mol
Exact Mass386.01
IUPAC Name2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C16H10ClF3N2O2S/c17-10-3-1-2-9(6-10)7-14(23)22-15-21-12-5-4-11(8-13(12)25-15)24-16(18,19)20/h1-6,8H,7H2,(H,21,22,23)
InChIKeyUJDZOHOQANPPGS-UHFFFAOYSA-N
XLogP5.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.78
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
KY-02111
CID 8582409
N-[6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 138393290
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
Phathalimide
CID 44452016
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 2596914
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
CID 1620331
Casein kinase 1|A-IN-3
CID 670753

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 77106872) is 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is UJDZOHOQANPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2S/c17-10-3-1-2-9(6-10)7-14(23)22-15-21-12-5-4-11(8-13(12)25-15)24-16(18,19)20/h1-6,8H,7H2,(H,21,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 386.78 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 77106872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).