5-formyl-N,N,2-trimethylthiophene-3-carboxamide

C9H11NO2S — CID 58724865

IUPAC5-formyl-N,N,2-trimethylthiophene-3-carboxamide
SMILESCc1sc(C=O)cc1C(=O)N(C)C
InChIInChI=1S/C9H11NO2S/c1-6-8(9(12)10(2)3)4-7(5-11)13-6/h4-5H,1-3H3
InChIKeyVMSCXWVGVNVXRP-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.57
Rot. Bonds2

About 5-formyl-N,N,2-trimethylthiophene-3-carboxamide

5-formyl-N,N,2-trimethylthiophene-3-carboxamide (PubChem CID 58724865) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-formyl-N,N,2-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-formyl-N,N,2-trimethylthiophene-3-carboxamide
PubChem CID58724865
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-formyl-N,N,2-trimethylthiophene-3-carboxamide
SMILESCc1sc(C=O)cc1C(=O)N(C)C
InChIInChI=1S/C9H11NO2S/c1-6-8(9(12)10(2)3)4-7(5-11)13-6/h4-5H,1-3H3
InChIKeyVMSCXWVGVNVXRP-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methylthiophene-2-carbaldehyde
CID 82417818
5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde
CID 82382507
5-formyl-N,N-dimethylthiophene-2-carboxamide
CID 15007350
4-(4,5-dimethyl-1,3-oxazole-2-carbonyl)-5-methylthiophene-2-carbaldehyde
CID 82383116
5-methyl-4-methylsulfanylthiophene-2-carbaldehyde
CID 123544567
5-formyl-3-methylthiophene-2-carboxylic acid
CID 82412510
4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde
CID 96590788
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
4-bromo-N,N,2,5-tetramethylbenzamide
CID 176915241
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide
CID 12548165
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N,N,2-trimethylthiophene-3-carboxamide?
The IUPAC name of 5-formyl-N,N,2-trimethylthiophene-3-carboxamide (CID 58724865) is 5-formyl-N,N,2-trimethylthiophene-3-carboxamide.
What is the SMILES notation for 5-formyl-N,N,2-trimethylthiophene-3-carboxamide?
The canonical SMILES for 5-formyl-N,N,2-trimethylthiophene-3-carboxamide is Cc1sc(C=O)cc1C(=O)N(C)C.
What is the InChIKey of 5-formyl-N,N,2-trimethylthiophene-3-carboxamide?
The InChIKey is VMSCXWVGVNVXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-8(9(12)10(2)3)4-7(5-11)13-6/h4-5H,1-3H3.
What are the key properties of 5-formyl-N,N,2-trimethylthiophene-3-carboxamide?
5-formyl-N,N,2-trimethylthiophene-3-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N,N,2-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 58724865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).