6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde

C10H9N3OS2 — CID 80639652

IUPAC6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
SMILESCCc1nsc(Sc2ccc(C=O)cn2)n1
InChIInChI=1S/C10H9N3OS2/c1-2-8-12-10(16-13-8)15-9-4-3-7(6-14)5-11-9/h3-6H,2H2,1H3
InChIKeyVBCUVPNQCBAZAV-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.46
Rot. Bonds4

About 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde

6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde (PubChem CID 80639652) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
PubChem CID80639652
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
SMILESCCc1nsc(Sc2ccc(C=O)cn2)n1
InChIInChI=1S/C10H9N3OS2/c1-2-8-12-10(16-13-8)15-9-4-3-7(6-14)5-11-9/h3-6H,2H2,1H3
InChIKeyVBCUVPNQCBAZAV-UHFFFAOYSA-N
XLogP2.46
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80650938
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80663619
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
CID 80640673
6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
CID 80639523
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80647034
6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
CID 80639451
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 104779107
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
CID 113380415
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566901
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzoic acid
CID 65271954

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde (CID 80639652) is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde is CCc1nsc(Sc2ccc(C=O)cn2)n1.
What is the InChIKey of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde?
The InChIKey is VBCUVPNQCBAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-2-8-12-10(16-13-8)15-9-4-3-7(6-14)5-11-9/h3-6H,2H2,1H3.
What are the key properties of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde?
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde has a molecular weight of 251.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 80639652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).