N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C24H20FN3O4S — CID 55382385

IUPACN-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccco3)n2)cc1F
InChIInChI=1S/C24H20FN3O4S/c1-31-20-10-9-16(13-17(20)25)19-14-33-24(27-19)28-22(29)18(12-15-6-3-2-4-7-15)26-23(30)21-8-5-11-32-21/h2-11,13-14,18H,12H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyBNRLGNMNOOUVHG-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.53
Rot. Bonds8

About N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 55382385) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID55382385
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC NameN-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccco3)n2)cc1F
InChIInChI=1S/C24H20FN3O4S/c1-31-20-10-9-16(13-17(20)25)19-14-33-24(27-19)28-22(29)18(12-15-6-3-2-4-7-15)26-23(30)21-8-5-11-32-21/h2-11,13-14,18H,12H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyBNRLGNMNOOUVHG-UHFFFAOYSA-N
XLogP4.53
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
CID 41097129
2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 55468200
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
2-(benzenesulfonamido)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 55382300
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7891674
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 56549825
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 60592826

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 55382385) is N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is COc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccco3)n2)cc1F.
What is the InChIKey of N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is BNRLGNMNOOUVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-31-20-10-9-16(13-17(20)25)19-14-33-24(27-19)28-22(29)18(12-15-6-3-2-4-7-15)26-23(30)21-8-5-11-32-21/h2-11,13-14,18H,12H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).