N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide

C20H16ClF3N2O2S — CID 3391293

IUPACN-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3C(F)(F)F)s2)cc1
InChIInChI=1S/C20H16ClF3N2O2S/c1-2-28-15-6-3-12(4-7-15)18(27)26-19-25-11-16(29-19)10-13-9-14(21)5-8-17(13)20(22,23)24/h3-9,11H,2,10H2,1H3,(H,25,26,27)
InChIKeySIPUSVQLEYRDIC-UHFFFAOYSA-N
MW440.87 g/mol
LogP6.06
Rot. Bonds6

About N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide (PubChem CID 3391293) has the molecular formula C20H16ClF3N2O2S and a molecular weight of 440.87 g/mol. Its IUPAC name is N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
PubChem CID3391293
Molecular FormulaC20H16ClF3N2O2S
Molecular Weight440.87 g/mol
Exact Mass440.06
IUPAC NameN-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3C(F)(F)F)s2)cc1
InChIInChI=1S/C20H16ClF3N2O2S/c1-2-28-15-6-3-12(4-7-15)18(27)26-19-25-11-16(29-19)10-13-9-14(21)5-8-17(13)20(22,23)24/h3-9,11H,2,10H2,1H3,(H,25,26,27)
InChIKeySIPUSVQLEYRDIC-UHFFFAOYSA-N
XLogP6.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.87
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-pentoxybenzamide
CID 3608845
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 2231211
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 3937376
2-butoxy-N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 3276355
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3928165
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 4540201
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 3685021
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide (CID 3391293) is N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3C(F)(F)F)s2)cc1.
What is the InChIKey of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide?
The InChIKey is SIPUSVQLEYRDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2S/c1-2-28-15-6-3-12(4-7-15)18(27)26-19-25-11-16(29-19)10-13-9-14(21)5-8-17(13)20(22,23)24/h3-9,11H,2,10H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide?
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide has a molecular weight of 440.87 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 3391293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).