N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C22H16FN3O4S — CID 55908856

IUPACN-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C22H16FN3O4S/c23-14-3-1-4-18(11-14)30-17-8-6-15(7-9-17)24-20(27)12-16-13-31-22(25-16)26-21(28)19-5-2-10-29-19/h1-11,13H,12H2,(H,24,27)(H,25,26,28)
InChIKeyZCILYKLDDDGWDM-UHFFFAOYSA-N
MW437.45 g/mol
LogP5.10
Rot. Bonds7

About N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55908856) has the molecular formula C22H16FN3O4S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID55908856
Molecular FormulaC22H16FN3O4S
Molecular Weight437.45 g/mol
Exact Mass437.08
IUPAC NameN-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C22H16FN3O4S/c23-14-3-1-4-18(11-14)30-17-8-6-15(7-9-17)24-20(27)12-16-13-31-22(25-16)26-21(28)19-5-2-10-29-19/h1-11,13H,12H2,(H,24,27)(H,25,26,28)
InChIKeyZCILYKLDDDGWDM-UHFFFAOYSA-N
XLogP5.10
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42466898
N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208460
N-[4-[2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 38333241
N-[4-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55583343
N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55814000
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55908856) is N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is ZCILYKLDDDGWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4S/c23-14-3-1-4-18(11-14)30-17-8-6-15(7-9-17)24-20(27)12-16-13-31-22(25-16)26-21(28)19-5-2-10-29-19/h1-11,13H,12H2,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55908856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).