5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde

C13H15NO2S — CID 79475732

IUPAC5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde
SMILESCC(Cc1cccs1)N(C)c1ccc(C=O)o1
InChIInChI=1S/C13H15NO2S/c1-10(8-12-4-3-7-17-12)14(2)13-6-5-11(9-15)16-13/h3-7,9-10H,8H2,1-2H3
InChIKeyQGPBUUNDCZXJAL-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.22
Rot. Bonds5

About 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde

5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde (PubChem CID 79475732) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde
PubChem CID79475732
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde
SMILESCC(Cc1cccs1)N(C)c1ccc(C=O)o1
InChIInChI=1S/C13H15NO2S/c1-10(8-12-4-3-7-17-12)14(2)13-6-5-11(9-15)16-13/h3-7,9-10H,8H2,1-2H3
InChIKeyQGPBUUNDCZXJAL-UHFFFAOYSA-N
XLogP3.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
CID 81146289
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 79477989
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136971411
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
2-chloro-1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392242
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde?
The IUPAC name of 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde (CID 79475732) is 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde.
What is the SMILES notation for 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde?
The canonical SMILES for 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde is CC(Cc1cccs1)N(C)c1ccc(C=O)o1.
What is the InChIKey of 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde?
The InChIKey is QGPBUUNDCZXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10(8-12-4-3-7-17-12)14(2)13-6-5-11(9-15)16-13/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde?
5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde has a molecular weight of 249.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde is sourced from PubChem (CID 79475732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).