2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid

C23H15F3N2O5S — CID 58659582

IUPAC2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)o2)cs1
InChIInChI=1S/C23H15F3N2O5S/c24-23(25,26)33-16-7-3-14(4-8-16)22(31)27-15-5-1-13(2-6-15)18-9-10-19(32-18)17-12-34-20(28-17)11-21(29)30/h1-10,12H,11H2,(H,27,31)(H,29,30)
InChIKeyONFUWYSVHHPMAI-UHFFFAOYSA-N
MW488.44 g/mol
LogP5.85
Rot. Bonds7

About 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid

2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid (PubChem CID 58659582) has the molecular formula C23H15F3N2O5S and a molecular weight of 488.44 g/mol. Its IUPAC name is 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid
PubChem CID58659582
Molecular FormulaC23H15F3N2O5S
Molecular Weight488.44 g/mol
Exact Mass488.07
IUPAC Name2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)o2)cs1
InChIInChI=1S/C23H15F3N2O5S/c24-23(25,26)33-16-7-3-14(4-8-16)22(31)27-15-5-1-13(2-6-15)18-9-10-19(32-18)17-12-34-20(28-17)11-21(29)30/h1-10,12H,11H2,(H,27,31)(H,29,30)
InChIKeyONFUWYSVHHPMAI-UHFFFAOYSA-N
XLogP5.85
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16580992
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
2-[3-chloro-4-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenoxy]phenyl]acetic acid
CID 70985116
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid (CID 58659582) is 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)o2)cs1.
What is the InChIKey of 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid?
The InChIKey is ONFUWYSVHHPMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O5S/c24-23(25,26)33-16-7-3-14(4-8-16)22(31)27-15-5-1-13(2-6-15)18-9-10-19(32-18)17-12-34-20(28-17)11-21(29)30/h1-10,12H,11H2,(H,27,31)(H,29,30).
What are the key properties of 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid?
2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid has a molecular weight of 488.44 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 58659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).