2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C20H17F3N2O2S — CID 46067105

IUPAC2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1
InChIInChI=1S/C20H17F3N2O2S/c1-11(2)24-19(26)18-10-28-20(25-18)15-5-4-14(8-17(15)23)27-9-12-7-13(21)3-6-16(12)22/h3-8,10-11H,9H2,1-2H3,(H,24,26)
InChIKeyBQGFTHURRSYBEK-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.94
Rot. Bonds6

About 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46067105) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46067105
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1
InChIInChI=1S/C20H17F3N2O2S/c1-11(2)24-19(26)18-10-28-20(25-18)15-5-4-14(8-17(15)23)27-9-12-7-13(21)3-6-16(12)22/h3-8,10-11H,9H2,1-2H3,(H,24,26)
InChIKeyBQGFTHURRSYBEK-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46067111
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46066775
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 46067033
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42866147
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46165312
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46067105) is 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1.
What is the InChIKey of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BQGFTHURRSYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-11(2)24-19(26)18-10-28-20(25-18)15-5-4-14(8-17(15)23)27-9-12-7-13(21)3-6-16(12)22/h3-8,10-11H,9H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).