5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide

C11H9BrN2O2S — CID 3788179

IUPAC5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide
SMILESCc1sccc1C=NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H9BrN2O2S/c1-7-8(4-5-17-7)6-13-14-11(15)9-2-3-10(12)16-9/h2-6H,1H3,(H,14,15)
InChIKeyYBUDFUMFKYGSFB-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide

5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide (PubChem CID 3788179) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide
PubChem CID3788179
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide
SMILESCc1sccc1C=NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H9BrN2O2S/c1-7-8(4-5-17-7)6-13-14-11(15)9-2-3-10(12)16-9/h2-6H,1H3,(H,14,15)
InChIKeyYBUDFUMFKYGSFB-UHFFFAOYSA-N
XLogP3.18
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
CID 5421765
5-bromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 5411667
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135688300
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 6873692
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135590172
5-bromo-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 135685234

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide (CID 3788179) is 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide is Cc1sccc1C=NNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is YBUDFUMFKYGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-7-8(4-5-17-7)6-13-14-11(15)9-2-3-10(12)16-9/h2-6H,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide?
5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 3788179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).