5-(dimethylamino)-3-methylthiophene-2-carbaldehyde

C8H11NOS — CID 172567909

IUPAC5-(dimethylamino)-3-methylthiophene-2-carbaldehyde
SMILESCc1cc(N(C)C)sc1C=O
InChIInChI=1S/C8H11NOS/c1-6-4-8(9(2)3)11-7(6)5-10/h4-5H,1-3H3
InChIKeyQKMYLASGHXDBGK-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.94
Rot. Bonds2

About 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde

5-(dimethylamino)-3-methylthiophene-2-carbaldehyde (PubChem CID 172567909) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-3-methylthiophene-2-carbaldehyde
PubChem CID172567909
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-(dimethylamino)-3-methylthiophene-2-carbaldehyde
SMILESCc1cc(N(C)C)sc1C=O
InChIInChI=1S/C8H11NOS/c1-6-4-8(9(2)3)11-7(6)5-10/h4-5H,1-3H3
InChIKeyQKMYLASGHXDBGK-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde (CID 172567909) is 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde is Cc1cc(N(C)C)sc1C=O.
What is the InChIKey of 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde?
The InChIKey is QKMYLASGHXDBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-4-8(9(2)3)11-7(6)5-10/h4-5H,1-3H3.
What are the key properties of 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde?
5-(dimethylamino)-3-methylthiophene-2-carbaldehyde has a molecular weight of 169.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 172567909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).