2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde

C10H7ClN2O2S — CID 1479067

IUPAC2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C10H7ClN2O2S/c11-10-8(12-13-16-10)6-15-9-4-2-1-3-7(9)5-14/h1-5H,6H2
InChIKeyYIRQYAVZWIHRJA-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.58
Rot. Bonds4

About 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde

2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde (PubChem CID 1479067) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde
PubChem CID1479067
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C10H7ClN2O2S/c11-10-8(12-13-16-10)6-15-9-4-2-1-3-7(9)5-14/h1-5H,6H2
InChIKeyYIRQYAVZWIHRJA-UHFFFAOYSA-N
XLogP2.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-Chloro-1,2,3-thiadiazol-4-yl)methoxy]-benzenecarbaldehyde
CID 2764040
(5-Chlorothiadiazol-4-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 24495945
(5-Chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
CID 24520839
(3R)-7-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 40048947
(3S)-7-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 40048949
7-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 45858005
[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 51110491
(5-Chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55421061
1-[2-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 75384581
2-[(5-Chlorothiadiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 107014150
2-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid
CID 107014602
2-[(5-Chlorothiadiazol-4-yl)methoxy]-5-fluorobenzoic acid
CID 113281421

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde (CID 1479067) is 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde is O=Cc1ccccc1OCc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is YIRQYAVZWIHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c11-10-8(12-13-16-10)6-15-9-4-2-1-3-7(9)5-14/h1-5H,6H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde?
2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 254.70 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 1479067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).