3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde

C16H13NO2S — CID 150940663

IUPAC3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde
SMILESCc1cc(-c2ccco2)c(N)c(-c2ccsc2C=O)c1
InChIInChI=1S/C16H13NO2S/c1-10-7-12(11-4-6-20-15(11)9-18)16(17)13(8-10)14-3-2-5-19-14/h2-9H,17H2,1H3
InChIKeyLHZADHMNQNDNNX-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.38
Rot. Bonds3

About 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde

3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde (PubChem CID 150940663) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde
PubChem CID150940663
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde
SMILESCc1cc(-c2ccco2)c(N)c(-c2ccsc2C=O)c1
InChIInChI=1S/C16H13NO2S/c1-10-7-12(11-4-6-20-15(11)9-18)16(17)13(8-10)14-3-2-5-19-14/h2-9H,17H2,1H3
InChIKeyLHZADHMNQNDNNX-UHFFFAOYSA-N
XLogP4.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-(2-Nitrophenyl)-2-furyl)-1-(2-thienyl)-2-propen-1-one
CID 5723982
4-[(3-fluoroazetidin-1-yl)methyl]-2-(furan-2-yl)-N-thiophen-3-ylsulfanylaniline
CID 167244966
1-[3-Amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone
CID 59656642
3-[2-Amino-3-(furan-2-carbonyl)phenyl]thiophene-2-carboxylic acid
CID 69732303
3-(3-Aminophenyl)-4-ethyl-5-(furan-2-yl)thiophen-2-amine
CID 69847610
N-[3-acetyl-5-(furan-3-yl)-4-methylthiophen-2-yl]benzenesulfonamide
CID 89759742
3-(3-Aminophenyl)-5-(furan-2-yl)thiophen-2-amine
CID 90718030
(3-Amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone
CID 90880196
Methyl 2-amino-3-(furan-3-yl)-6-(phenylsulfanylmethyl)benzoate
CID 129084289
4-Amino-5-(furan-2-yl)-3-phenylthiophene-2-carbaldehyde
CID 141363512
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
CID 166521372
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide
CID 166521377

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde?
The IUPAC name of 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde (CID 150940663) is 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde is Cc1cc(-c2ccco2)c(N)c(-c2ccsc2C=O)c1.
What is the InChIKey of 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde?
The InChIKey is LHZADHMNQNDNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-10-7-12(11-4-6-20-15(11)9-18)16(17)13(8-10)14-3-2-5-19-14/h2-9H,17H2,1H3.
What are the key properties of 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde?
3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde has a molecular weight of 283.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(furan-2-yl)-5-methylphenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 150940663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).