3-methylthieno[2,3-d]imidazole-2-carbaldehyde

C7H6N2OS — CID 96633072

IUPAC3-methylthieno[2,3-d]imidazole-2-carbaldehyde
SMILESCn1c(C=O)nc2ccsc21
InChIInChI=1S/C7H6N2OS/c1-9-6(4-10)8-5-2-3-11-7(5)9/h2-4H,1H3
InChIKeyDSDRAEJXPLPLRT-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.45
Rot. Bonds1

About 3-methylthieno[2,3-d]imidazole-2-carbaldehyde

3-methylthieno[2,3-d]imidazole-2-carbaldehyde (PubChem CID 96633072) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 3-methylthieno[2,3-d]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name3-methylthieno[2,3-d]imidazole-2-carbaldehyde
PubChem CID96633072
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name3-methylthieno[2,3-d]imidazole-2-carbaldehyde
SMILESCn1c(C=O)nc2ccsc21
InChIInChI=1S/C7H6N2OS/c1-9-6(4-10)8-5-2-3-11-7(5)9/h2-4H,1H3
InChIKeyDSDRAEJXPLPLRT-UHFFFAOYSA-N
XLogP1.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.45
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

6-methylthieno[2,3-b]pyrrole-5-carbaldehyde
CID 96633320
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
9-methylpurine-8-carbaldehyde
CID 59036847
5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 141383403
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
1-methyl-4-(1,3-thiazol-2-yl)imidazole-2-carbaldehyde
CID 89487203
7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde
CID 84621199
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde
CID 87327068
5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde
CID 84681714
2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 53337713
1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
CID 21107908

Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[2,3-d]imidazole-2-carbaldehyde?
The IUPAC name of 3-methylthieno[2,3-d]imidazole-2-carbaldehyde (CID 96633072) is 3-methylthieno[2,3-d]imidazole-2-carbaldehyde.
What is the SMILES notation for 3-methylthieno[2,3-d]imidazole-2-carbaldehyde?
The canonical SMILES for 3-methylthieno[2,3-d]imidazole-2-carbaldehyde is Cn1c(C=O)nc2ccsc21.
What is the InChIKey of 3-methylthieno[2,3-d]imidazole-2-carbaldehyde?
The InChIKey is DSDRAEJXPLPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-9-6(4-10)8-5-2-3-11-7(5)9/h2-4H,1H3.
What are the key properties of 3-methylthieno[2,3-d]imidazole-2-carbaldehyde?
3-methylthieno[2,3-d]imidazole-2-carbaldehyde has a molecular weight of 166.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[2,3-d]imidazole-2-carbaldehyde is sourced from PubChem (CID 96633072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).