4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide

C17H14BrFN2O3S — CID 55722825

IUPAC4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2c(C)oc(C)c2Br)n1
InChIInChI=1S/C17H14BrFN2O3S/c1-8-14(15(18)9(2)24-8)16(22)21-17-20-12(7-25-17)11-6-10(19)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21,22)
InChIKeyKUEIONURANYTIU-UHFFFAOYSA-N
MW425.28 g/mol
LogP5.18
Rot. Bonds4

About 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55722825) has the molecular formula C17H14BrFN2O3S and a molecular weight of 425.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55722825
Molecular FormulaC17H14BrFN2O3S
Molecular Weight425.28 g/mol
Exact Mass423.99
IUPAC Name4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2c(C)oc(C)c2Br)n1
InChIInChI=1S/C17H14BrFN2O3S/c1-8-14(15(18)9(2)24-8)16(22)21-17-20-12(7-25-17)11-6-10(19)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21,22)
InChIKeyKUEIONURANYTIU-UHFFFAOYSA-N
XLogP5.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 35889009
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 78878975
4-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47026194
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1157510
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55722692
2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 26723626
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55722730
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide (CID 55722825) is 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)c2c(C)oc(C)c2Br)n1.
What is the InChIKey of 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KUEIONURANYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O3S/c1-8-14(15(18)9(2)24-8)16(22)21-17-20-12(7-25-17)11-6-10(19)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21,22).
What are the key properties of 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 425.28 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55722825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).