2-methoxy-5-(thiadiazol-4-yl)benzaldehyde

C10H8N2O2S — CID 22620096

IUPAC2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
SMILESCOc1ccc(-c2csnn2)cc1C=O
InChIInChI=1S/C10H8N2O2S/c1-14-10-3-2-7(4-8(10)5-13)9-6-15-12-11-9/h2-6H,1H3
InChIKeyNFAMHAXBHZSSMF-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.03
Rot. Bonds3

About 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde

2-methoxy-5-(thiadiazol-4-yl)benzaldehyde (PubChem CID 22620096) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
PubChem CID22620096
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
SMILESCOc1ccc(-c2csnn2)cc1C=O
InChIInChI=1S/C10H8N2O2S/c1-14-10-3-2-7(4-8(10)5-13)9-6-15-12-11-9/h2-6H,1H3
InChIKeyNFAMHAXBHZSSMF-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde (CID 22620096) is 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde is COc1ccc(-c2csnn2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde?
The InChIKey is NFAMHAXBHZSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-14-10-3-2-7(4-8(10)5-13)9-6-15-12-11-9/h2-6H,1H3.
What are the key properties of 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde?
2-methoxy-5-(thiadiazol-4-yl)benzaldehyde 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 2-methoxy-5-(thiadiazol-4-yl)benzaldehyde is sourced from PubChem (CID 22620096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).