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

C9H5ClN2OS — CID 83911086

IUPAC5-(2-chlorophenyl)thiadiazole-4-carbaldehyde
SMILESO=Cc1nnsc1-c1ccccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-4-2-1-3-6(7)9-8(5-13)11-12-14-9/h1-5H
InChIKeyHLFCBGVZAHYKFC-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.67
Rot. Bonds2

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

5-(2-chlorophenyl)thiadiazole-4-carbaldehyde (PubChem CID 83911086) has the molecular formula C9H5ClN2OS and a molecular weight of 224.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-chlorophenyl)thiadiazole-4-carbaldehyde
PubChem CID83911086
Molecular FormulaC9H5ClN2OS
Molecular Weight224.67 g/mol
Exact Mass223.98
IUPAC Name5-(2-chlorophenyl)thiadiazole-4-carbaldehyde
SMILESO=Cc1nnsc1-c1ccccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-4-2-1-3-6(7)9-8(5-13)11-12-14-9/h1-5H
InChIKeyHLFCBGVZAHYKFC-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde
CID 83910426
2-amino-5-(2-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700892
5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde
CID 83910427
5-(2-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211102
5-(2-chlorophenyl)-1-heptyltriazole-4-carbaldehyde
CID 98824375
5-(2-chlorophenyl)-1-[(2-methylphenyl)methyl]triazole-4-carbaldehyde
CID 94943609
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
5-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 94946381
4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 105499892
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
[2-[4-(iodomethyl)thiadiazol-5-yl]phenyl] formate
CID 174621592
calcium;1,2-dichlorobenzene;diformate
CID 174875023

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde?
The IUPAC name of 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde (CID 83911086) is 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde?
The canonical SMILES for 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde is O=Cc1nnsc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde?
The InChIKey is HLFCBGVZAHYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS/c10-7-4-2-1-3-6(7)9-8(5-13)11-12-14-9/h1-5H.
What are the key properties of 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde?
5-(2-chlorophenyl)thiadiazole-4-carbaldehyde has a molecular weight of 224.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)thiadiazole-4-carbaldehyde is sourced from PubChem (CID 83911086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).