2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H14F4N2OS2 — CID 46575785

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F4N2OS2/c20-13-7-5-12(6-8-13)18-24-14(10-28-18)9-27-11-17(26)25-16-4-2-1-3-15(16)19(21,22)23/h1-8,10H,9,11H2,(H,25,26)
InChIKeyNLQLSEBBCHUZMW-UHFFFAOYSA-N
MW426.46 g/mol
LogP5.84
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 46575785) has the molecular formula C19H14F4N2OS2 and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID46575785
Molecular FormulaC19H14F4N2OS2
Molecular Weight426.46 g/mol
Exact Mass426.05
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F4N2OS2/c20-13-7-5-12(6-8-13)18-24-14(10-28-18)9-27-11-17(26)25-16-4-2-1-3-15(16)19(21,22)23/h1-8,10H,9,11H2,(H,25,26)
InChIKeyNLQLSEBBCHUZMW-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
N-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 34509783
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
N-(2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603566
N-(2,3-dichlorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 46581033
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide
CID 87033519
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100501688
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423290

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 46575785) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NLQLSEBBCHUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2OS2/c20-13-7-5-12(6-8-13)18-24-14(10-28-18)9-27-11-17(26)25-16-4-2-1-3-15(16)19(21,22)23/h1-8,10H,9,11H2,(H,25,26).
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46575785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).