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

C12H12F3N3OS — CID 729778

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC1=NCCN1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyGSRUSEGVJQGBQN-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.34
Rot. Bonds3

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

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 729778) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID729778
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC1=NCCN1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyGSRUSEGVJQGBQN-UHFFFAOYSA-N
XLogP2.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1090093
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
Butamisole Hydrochloride
CID 76964744
N-[3-methyl-1,3-thiazol-2(3H)-yliden]-N'-[3-(trifluoromethyl)phenyl]urea
CID 5900980
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
Butamisole
CID 76964745
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] N,N-dimethylcarbamodithioate
CID 2477387
7-[[3,5-Bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2490141

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 729778) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSC1=NCCN1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GSRUSEGVJQGBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 303.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 729778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).