2-formyl-4-methylthiophene-3-carboxamide

C7H7NO2S — CID 164540360

IUPAC2-formyl-4-methylthiophene-3-carboxamide
SMILESCc1csc(C=O)c1C(N)=O
InChIInChI=1S/C7H7NO2S/c1-4-3-11-5(2-9)6(4)7(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyHJQQWXONBRUKDR-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.97
Rot. Bonds2

About 2-formyl-4-methylthiophene-3-carboxamide

2-formyl-4-methylthiophene-3-carboxamide (PubChem CID 164540360) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-formyl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-formyl-4-methylthiophene-3-carboxamide
PubChem CID164540360
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2-formyl-4-methylthiophene-3-carboxamide
SMILESCc1csc(C=O)c1C(N)=O
InChIInChI=1S/C7H7NO2S/c1-4-3-11-5(2-9)6(4)7(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyHJQQWXONBRUKDR-UHFFFAOYSA-N
XLogP0.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(methylamino)thiophene-3-carboxamide
CID 58799095
3-ethyl-4-methylthiophene-2-carbaldehyde
CID 82416519
3,4-dimethylthiophene-2-carboxamide
CID 140551630
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
2,4-dimethylthiophene-3-carbaldehyde;methanamine
CID 143797025
2,4,5-trifluoro-N-(2-formyl-4-methylthiophen-3-yl)benzamide
CID 89172621
methyl 2-chloro-4-methylthiophene-3-carboxylate
CID 131063806
2-formyl-6-methyl-4-(trifluoromethyl)benzamide
CID 171015102
N-(4-acetamido-5-formylthiophen-3-yl)acetamide
CID 15915516
3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid
CID 159779125
4-methyl-2-[(4-methylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 18474185
2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-formyl-4-methylthiophene-3-carboxamide (CID 164540360) is 2-formyl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-formyl-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-formyl-4-methylthiophene-3-carboxamide is Cc1csc(C=O)c1C(N)=O.
What is the InChIKey of 2-formyl-4-methylthiophene-3-carboxamide?
The InChIKey is HJQQWXONBRUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-4-3-11-5(2-9)6(4)7(8)10/h2-3H,1H3,(H2,8,10).
What are the key properties of 2-formyl-4-methylthiophene-3-carboxamide?
2-formyl-4-methylthiophene-3-carboxamide has a molecular weight of 169.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 164540360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).