5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde

C10H8N2O2S — CID 83910426

IUPAC5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde
SMILESCOc1ccccc1-c1snnc1C=O
InChIInChI=1S/C10H8N2O2S/c1-14-9-5-3-2-4-7(9)10-8(6-13)11-12-15-10/h2-6H,1H3
InChIKeyIHHHXBVNJCQYCM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.03
Rot. Bonds3

About 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde

5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde (PubChem CID 83910426) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde
PubChem CID83910426
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde
SMILESCOc1ccccc1-c1snnc1C=O
InChIInChI=1S/C10H8N2O2S/c1-14-9-5-3-2-4-7(9)10-8(6-13)11-12-15-10/h2-6H,1H3
InChIKeyIHHHXBVNJCQYCM-UHFFFAOYSA-N
XLogP2.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
1-(4-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 82196784
5,6-bis(2-methoxyphenyl)tetrathiine
CID 101437216
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
2-[5-[2-(7-methoxyheptoxy)phenyl]thiadiazol-4-yl]benzaldehyde
CID 91098599
5-(2-methoxyphenyl)-1-(3-methylbutyl)triazole-4-carbaldehyde
CID 82208267
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
1-[(2-fluorophenyl)methyl]-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 94943529
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde?
The IUPAC name of 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde (CID 83910426) is 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde?
The canonical SMILES for 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde is COc1ccccc1-c1snnc1C=O.
What is the InChIKey of 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde?
The InChIKey is IHHHXBVNJCQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-14-9-5-3-2-4-7(9)10-8(6-13)11-12-15-10/h2-6H,1H3.
What are the key properties of 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde?
5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde is sourced from PubChem (CID 83910426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).