5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde

C11H9NO2S2 — CID 82382507

IUPAC5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1ncsc1C
InChIInChI=1S/C11H9NO2S2/c1-6-9(3-8(4-13)16-6)11(14)10-7(2)15-5-12-10/h3-5H,1-2H3
InChIKeyRMSDRLDXAPCQAA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.86
Rot. Bonds3

About 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde

5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde (PubChem CID 82382507) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde
PubChem CID82382507
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1ncsc1C
InChIInChI=1S/C11H9NO2S2/c1-6-9(3-8(4-13)16-6)11(14)10-7(2)15-5-12-10/h3-5H,1-2H3
InChIKeyRMSDRLDXAPCQAA-UHFFFAOYSA-N
XLogP2.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde (CID 82382507) is 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde is Cc1sc(C=O)cc1C(=O)c1ncsc1C.
What is the InChIKey of 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde?
The InChIKey is RMSDRLDXAPCQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-6-9(3-8(4-13)16-6)11(14)10-7(2)15-5-12-10/h3-5H,1-2H3.
What are the key properties of 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde?
5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82382507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).