4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde

C15H10F2N2OS — CID 130438244

IUPAC4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde
SMILESCc1ccc(Nc2c(C=O)cc3scnc3c2F)c(F)c1
InChIInChI=1S/C15H10F2N2OS/c1-8-2-3-11(10(16)4-8)19-14-9(6-20)5-12-15(13(14)17)18-7-21-12/h2-7,19H,1H3
InChIKeyGIRVBCHQKQVCBH-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.44
Rot. Bonds3

About 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde

4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde (PubChem CID 130438244) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde
PubChem CID130438244
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde
SMILESCc1ccc(Nc2c(C=O)cc3scnc3c2F)c(F)c1
InChIInChI=1S/C15H10F2N2OS/c1-8-2-3-11(10(16)4-8)19-14-9(6-20)5-12-15(13(14)17)18-7-21-12/h2-7,19H,1H3
InChIKeyGIRVBCHQKQVCBH-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde?
The IUPAC name of 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde (CID 130438244) is 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde.
What is the SMILES notation for 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde?
The canonical SMILES for 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde is Cc1ccc(Nc2c(C=O)cc3scnc3c2F)c(F)c1.
What is the InChIKey of 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde?
The InChIKey is GIRVBCHQKQVCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c1-8-2-3-11(10(16)4-8)19-14-9(6-20)5-12-15(13(14)17)18-7-21-12/h2-7,19H,1H3.
What are the key properties of 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde?
4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde has a molecular weight of 304.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzothiazole-6-carbaldehyde is sourced from PubChem (CID 130438244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).