2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide

C20H18F2N2O2S — CID 46165312

IUPAC2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1
InChIInChI=1S/C20H18F2N2O2S/c1-2-9-23-19(25)17-12-27-20(24-17)15-5-3-4-6-18(15)26-11-13-10-14(21)7-8-16(13)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,25)
InChIKeyLJXOOISJPACNFF-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.81
Rot. Bonds7

About 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide

2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 46165312) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID46165312
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1
InChIInChI=1S/C20H18F2N2O2S/c1-2-9-23-19(25)17-12-27-20(24-17)15-5-3-4-6-18(15)26-11-13-10-14(21)7-8-16(13)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,25)
InChIKeyLJXOOISJPACNFF-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302
2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865996
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46067111
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067105
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866141
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 46165312) is 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1.
What is the InChIKey of 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is LJXOOISJPACNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-2-9-23-19(25)17-12-27-20(24-17)15-5-3-4-6-18(15)26-11-13-10-14(21)7-8-16(13)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,25).
What are the key properties of 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46165312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).