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

C21H19F3N2O2S — CID 46067162

IUPACN-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H19F3N2O2S/c1-2-11-25-19(27)17-13-29-20(26-17)16-5-3-4-6-18(16)28-12-14-7-9-15(10-8-14)21(22,23)24/h3-10,13H,2,11-12H2,1H3,(H,25,27)
InChIKeyQINCKHNSOGRGSQ-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.55
Rot. Bonds7

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

N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46067162) has the molecular formula C21H19F3N2O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46067162
Molecular FormulaC21H19F3N2O2S
Molecular Weight420.46 g/mol
Exact Mass420.11
IUPAC NameN-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H19F3N2O2S/c1-2-11-25-19(27)17-13-29-20(26-17)16-5-3-4-6-18(16)28-12-14-7-9-15(10-8-14)21(22,23)24/h3-10,13H,2,11-12H2,1H3,(H,25,27)
InChIKeyQINCKHNSOGRGSQ-UHFFFAOYSA-N
XLogP5.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067163
2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46066060
2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46165312
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066056
2-[(2-fluorophenoxy)methyl]-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxamide
CID 46106194
N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46068253
N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866415
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065626

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46067162) is N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QINCKHNSOGRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2S/c1-2-11-25-19(27)17-13-29-20(26-17)16-5-3-4-6-18(16)28-12-14-7-9-15(10-8-14)21(22,23)24/h3-10,13H,2,11-12H2,1H3,(H,25,27).
What are the key properties of N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).