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

C14H9BrN2O2S — CID 783442

IUPAC5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C14H9BrN2O2S/c15-12-7-6-11(19-12)13(18)17-14-16-10(8-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyORUZDJNOPJYODM-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.42
Rot. Bonds3

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

5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 783442) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID783442
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C14H9BrN2O2S/c15-12-7-6-11(19-12)13(18)17-14-16-10(8-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyORUZDJNOPJYODM-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 783442) is 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is ORUZDJNOPJYODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-12-7-6-11(19-12)13(18)17-14-16-10(8-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,17,18).
What are the key properties of 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 349.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 783442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).