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

C21H15FN2O3S — CID 9422983

IUPACN-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(-c2ccc(NC(=O)c3ccco3)cc2)n1
InChIInChI=1S/C21H15FN2O3S/c1-26-18-9-6-14(22)11-16(18)17-12-28-21(24-17)13-4-7-15(8-5-13)23-20(25)19-3-2-10-27-19/h2-12H,1H3,(H,23,25)
InChIKeyYRNMBVQPBITLDI-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.47
Rot. Bonds5

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

N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 9422983) has the molecular formula C21H15FN2O3S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
PubChem CID9422983
Molecular FormulaC21H15FN2O3S
Molecular Weight394.43 g/mol
Exact Mass394.08
IUPAC NameN-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(-c2ccc(NC(=O)c3ccco3)cc2)n1
InChIInChI=1S/C21H15FN2O3S/c1-26-18-9-6-14(22)11-16(18)17-12-28-21(24-17)13-4-7-15(8-5-13)23-20(25)19-3-2-10-27-19/h2-12H,1H3,(H,23,25)
InChIKeyYRNMBVQPBITLDI-UHFFFAOYSA-N
XLogP5.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045
N-[4-(5-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 861981
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 32617949
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 78878975
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55722730

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide (CID 9422983) is N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide is COc1ccc(F)cc1-c1csc(-c2ccc(NC(=O)c3ccco3)cc2)n1.
What is the InChIKey of N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is YRNMBVQPBITLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3S/c1-26-18-9-6-14(22)11-16(18)17-12-28-21(24-17)13-4-7-15(8-5-13)23-20(25)19-3-2-10-27-19/h2-12H,1H3,(H,23,25).
What are the key properties of N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9422983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).