4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde

C9H6FN3OS — CID 166085092

IUPAC4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde
SMILESNc1nnc(-c2ccc(C=O)c(F)c2)s1
InChIInChI=1S/C9H6FN3OS/c10-7-3-5(1-2-6(7)4-14)8-12-13-9(11)15-8/h1-4H,(H2,11,13)
InChIKeyCWFVMNKFLSCWNE-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.74
Rot. Bonds2

About 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde

4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde (PubChem CID 166085092) has the molecular formula C9H6FN3OS and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde
PubChem CID166085092
Molecular FormulaC9H6FN3OS
Molecular Weight223.23 g/mol
Exact Mass223.02
IUPAC Name4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde
SMILESNc1nnc(-c2ccc(C=O)c(F)c2)s1
InChIInChI=1S/C9H6FN3OS/c10-7-3-5(1-2-6(7)4-14)8-12-13-9(11)15-8/h1-4H,(H2,11,13)
InChIKeyCWFVMNKFLSCWNE-UHFFFAOYSA-N
XLogP1.74
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde;N,N-dimethylmethanamine;ethane
CID 166085091
5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 79691075
2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 63424637
5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 3832219
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834299
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
5-(3-fluoroisoquinolin-6-yl)-1,3,4-thiadiazol-2-amine;2,2,2-trifluoroacetic acid
CID 158584691
5-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 130052804
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol
CID 136751543
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde (CID 166085092) is 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde is Nc1nnc(-c2ccc(C=O)c(F)c2)s1.
What is the InChIKey of 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde?
The InChIKey is CWFVMNKFLSCWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3OS/c10-7-3-5(1-2-6(7)4-14)8-12-13-9(11)15-8/h1-4H,(H2,11,13).
What are the key properties of 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde?
4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde has a molecular weight of 223.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde is sourced from PubChem (CID 166085092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).