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

C16H12BrFN2O2S — CID 7216624

IUPAC5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(Br)o1
InChIInChI=1S/C16H12BrFN2O2S/c17-14-5-4-13(22-14)15(21)19-7-6-12-9-23-16(20-12)10-2-1-3-11(18)8-10/h1-5,8-9H,6-7H2,(H,19,21)
InChIKeyDRDGAKFCORUZED-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.28
Rot. Bonds5

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

5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (PubChem CID 7216624) has the molecular formula C16H12BrFN2O2S and a molecular weight of 395.25 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
PubChem CID7216624
Molecular FormulaC16H12BrFN2O2S
Molecular Weight395.25 g/mol
Exact Mass393.98
IUPAC Name5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(Br)o1
InChIInChI=1S/C16H12BrFN2O2S/c17-14-5-4-13(22-14)15(21)19-7-6-12-9-23-16(20-12)10-2-1-3-11(18)8-10/h1-5,8-9H,6-7H2,(H,19,21)
InChIKeyDRDGAKFCORUZED-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
4-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7518536
2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7216597
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565228
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxyethanesulfonamide
CID 7530807
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(3-fluorophenyl)benzamide
CID 131899873
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2-nitrophenyl)oxamide
CID 7518590

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (CID 7216624) is 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The InChIKey is DRDGAKFCORUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2S/c17-14-5-4-13(22-14)15(21)19-7-6-12-9-23-16(20-12)10-2-1-3-11(18)8-10/h1-5,8-9H,6-7H2,(H,19,21).
What are the key properties of 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7216624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).