2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C19H15F3N2O2S2 — CID 55522659

IUPAC2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccccc1SCc1cscn1
InChIInChI=1S/C19H15F3N2O2S2/c20-19(21,22)26-16-7-3-1-5-13(16)9-23-18(25)15-6-2-4-8-17(15)28-11-14-10-27-12-24-14/h1-8,10,12H,9,11H2,(H,23,25)
InChIKeyYPMYIYPYTQJVEM-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.26
Rot. Bonds7

About 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 55522659) has the molecular formula C19H15F3N2O2S2 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID55522659
Molecular FormulaC19H15F3N2O2S2
Molecular Weight424.47 g/mol
Exact Mass424.05
IUPAC Name2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccccc1SCc1cscn1
InChIInChI=1S/C19H15F3N2O2S2/c20-19(21,22)26-16-7-3-1-5-13(16)9-23-18(25)15-6-2-4-8-17(15)28-11-14-10-27-12-24-14/h1-8,10,12H,9,11H2,(H,23,25)
InChIKeyYPMYIYPYTQJVEM-UHFFFAOYSA-N
XLogP5.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46454933
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34555167
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46456480
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N-[3-(1-phenylethoxy)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46550057
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 120946073
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46476875
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 55522659) is 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1SCc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YPMYIYPYTQJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S2/c20-19(21,22)26-16-7-3-1-5-13(16)9-23-18(25)15-6-2-4-8-17(15)28-11-14-10-27-12-24-14/h1-8,10,12H,9,11H2,(H,23,25).
What are the key properties of 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 424.47 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).