2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C12H11F3N2OS2 — CID 698457

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC1=NCCS1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2OS2/c13-12(14,15)8-2-1-3-9(6-8)17-10(18)7-20-11-16-4-5-19-11/h1-3,6H,4-5,7H2,(H,17,18)
InChIKeyNGOGQMUNYAOZTO-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.48
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 698457) has the molecular formula C12H11F3N2OS2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID698457
Molecular FormulaC12H11F3N2OS2
Molecular Weight320.36 g/mol
Exact Mass320.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC1=NCCS1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2OS2/c13-12(14,15)8-2-1-3-9(6-8)17-10(18)7-20-11-16-4-5-19-11/h1-3,6H,4-5,7H2,(H,17,18)
InChIKeyNGOGQMUNYAOZTO-UHFFFAOYSA-N
XLogP3.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Methylphenyl)-2-sulfanylacetamide
CID 571970
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
N-(4-Acetylamino-phenyl)-2-(4,5-dihydro-thiazol-2-ylsulfanyl)-acetamide
CID 646147
2-({2-Oxo-2-[3-(trifluoromethyl)anilino]-ethyl}sulfanyl)acetic acid
CID 737790
2-(4,5-dihydro-1,3-thiazol-2-ylthio)-N-1-naphthylacetamide
CID 766891
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 861423
2-[(2-hydroxyethyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2190615
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] N,N-dimethylcarbamodithioate
CID 2477387
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-2-ylacetamide
CID 5032092
N-[3-(aminomethyl)phenyl]-3-sulfanylpropanamide
CID 166629131
Mls003107098
CID 304836
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] N,N-diethylcarbamodithioate
CID 2290392

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 698457) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSC1=NCCS1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NGOGQMUNYAOZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS2/c13-12(14,15)8-2-1-3-9(6-8)17-10(18)7-20-11-16-4-5-19-11/h1-3,6H,4-5,7H2,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 320.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 698457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).