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

C21H15BrN2O2S — CID 108761306

IUPAC5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1ccc(Br)o1
InChIInChI=1S/C21H15BrN2O2S/c22-19-10-9-18(26-19)20(25)23-12-14-5-4-8-16(11-14)21-24-17(13-27-21)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,23,25)
InChIKeyZFIWOPQTZPIXRO-UHFFFAOYSA-N
MW439.33 g/mol
LogP5.76
Rot. Bonds5

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

5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 108761306) has the molecular formula C21H15BrN2O2S and a molecular weight of 439.33 g/mol. Its IUPAC name is 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID108761306
Molecular FormulaC21H15BrN2O2S
Molecular Weight439.33 g/mol
Exact Mass438.00
IUPAC Name5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1ccc(Br)o1
InChIInChI=1S/C21H15BrN2O2S/c22-19-10-9-18(26-19)20(25)23-12-14-5-4-8-16(11-14)21-24-17(13-27-21)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,23,25)
InChIKeyZFIWOPQTZPIXRO-UHFFFAOYSA-N
XLogP5.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.33
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
2,3,6-trichloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108738492
4-nitro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774026
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
CID 7216624
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide (CID 108761306) is 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is ZFIWOPQTZPIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O2S/c22-19-10-9-18(26-19)20(25)23-12-14-5-4-8-16(11-14)21-24-17(13-27-21)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,23,25).
What are the key properties of 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 439.33 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 108761306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).