5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde

C14H15NO2S — CID 138667112

IUPAC5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde
SMILESCN(CCO)c1ccc(-c2ccc(C=O)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-15(8-9-16)12-4-2-11(3-5-12)14-7-6-13(10-17)18-14/h2-7,10,16H,8-9H2,1H3
InChIKeyHSGAREQEHBNOAK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.66
Rot. Bonds5

About 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde

5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde (PubChem CID 138667112) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde
PubChem CID138667112
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde
SMILESCN(CCO)c1ccc(-c2ccc(C=O)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-15(8-9-16)12-4-2-11(3-5-12)14-7-6-13(10-17)18-14/h2-7,10,16H,8-9H2,1H3
InChIKeyHSGAREQEHBNOAK-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
CID 23080398
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
4-(5-formylthiophen-2-yl)benzamide
CID 87324146
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde
CID 82484736
5-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]thiophene-2-carbaldehyde;methanethiol
CID 145446536
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
2-(4-isocyanato-N-methylanilino)ethanol
CID 169353633
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
CID 141409113
5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine
CID 143040071

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde (CID 138667112) is 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde is CN(CCO)c1ccc(-c2ccc(C=O)s2)cc1.
What is the InChIKey of 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde?
The InChIKey is HSGAREQEHBNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15(8-9-16)12-4-2-11(3-5-12)14-7-6-13(10-17)18-14/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde?
5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde has a molecular weight of 261.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 138667112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).