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

C10H8N2O2S — CID 83910427

IUPAC5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde
SMILESCOc1ccc(-c2snnc2C=O)cc1
InChIInChI=1S/C10H8N2O2S/c1-14-8-4-2-7(3-5-8)10-9(6-13)11-12-15-10/h2-6H,1H3
InChIKeyAUSNBVVONCZYKF-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.03
Rot. Bonds3

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

5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde (PubChem CID 83910427) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde
PubChem CID83910427
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde
SMILESCOc1ccc(-c2snnc2C=O)cc1
InChIInChI=1S/C10H8N2O2S/c1-14-8-4-2-7(3-5-8)10-9(6-13)11-12-15-10/h2-6H,1H3
InChIKeyAUSNBVVONCZYKF-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

1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
3-[5-(4-methoxyphenyl)thiadiazol-4-yl]sulfanylpropanoic acid
CID 21276487
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
5,6-bis(4-methoxyphenyl)tetrathiine
CID 102027357
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
5-(4-methoxyphenyl)-1,2,4-triazine-3-carbaldehyde
CID 105468347
2-[4-[4-formyl-5-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]sulfanyl-2-methylpropanoic acid
CID 142239313
5-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937028
N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide
CID 141260719
3-(4-methoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266299
1-(3-chlorophenyl)-5-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94939920
1-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94936057

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde?
The IUPAC name of 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde (CID 83910427) is 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde?
The canonical SMILES for 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde is COc1ccc(-c2snnc2C=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde?
The InChIKey is AUSNBVVONCZYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-14-8-4-2-7(3-5-8)10-9(6-13)11-12-15-10/h2-6H,1H3.
What are the key properties of 5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde?
5-(4-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-(4-methoxyphenyl)thiadiazole-4-carbaldehyde is sourced from PubChem (CID 83910427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).