N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

C22H21F3N2O2S — CID 46065626

IUPACN,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C22H21F3N2O2S/c1-3-27(4-2)21(28)19-14-30-20(26-19)16-7-11-18(12-8-16)29-13-15-5-9-17(10-6-15)22(23,24)25/h5-12,14H,3-4,13H2,1-2H3
InChIKeyZPGOLIXRVYZOKB-UHFFFAOYSA-N
MW434.48 g/mol
LogP5.89
Rot. Bonds7

About N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46065626) has the molecular formula C22H21F3N2O2S and a molecular weight of 434.48 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46065626
Molecular FormulaC22H21F3N2O2S
Molecular Weight434.48 g/mol
Exact Mass434.13
IUPAC NameN,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C22H21F3N2O2S/c1-3-27(4-2)21(28)19-14-30-20(26-19)16-7-11-18(12-8-16)29-13-15-5-9-17(10-6-15)22(23,24)25/h5-12,14H,3-4,13H2,1-2H3
InChIKeyZPGOLIXRVYZOKB-UHFFFAOYSA-N
XLogP5.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46065907
morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
CID 42865751
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46066060
N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865769
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067879
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
3-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]butanoic acid
CID 70842742
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46065626) is N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZPGOLIXRVYZOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2S/c1-3-27(4-2)21(28)19-14-30-20(26-19)16-7-11-18(12-8-16)29-13-15-5-9-17(10-6-15)22(23,24)25/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).