2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H11F3N2OS2 — CID 1278154

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-23-15-21-12-6-1-2-7-13(12)24-15/h1-8H,9H2,(H,20,22)
InChIKeyLINKACFZIKXTRX-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.05
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1278154) has the molecular formula C16H11F3N2OS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1278154
Molecular FormulaC16H11F3N2OS2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-23-15-21-12-6-1-2-7-13(12)24-15/h1-8H,9H2,(H,20,22)
InChIKeyLINKACFZIKXTRX-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 234475
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CID 720999
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CID 667680
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CID 735970
CID 735970
CID 2809628
CID 2809628
CID 233871
CID 233871
CID 685913
CID 685913
CID 5334879
CID 5334879
CID 790687
CID 790687
CID 941149
CID 941149
CID 3574419
CID 3574419
CID 395430
CID 395430

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1278154) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LINKACFZIKXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS2/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-23-15-21-12-6-1-2-7-13(12)24-15/h1-8H,9H2,(H,20,22).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1278154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).