3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

C8H5F2N3S2 — CID 62532007

IUPAC3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
SMILESNc1ccc(F)c(F)c1Sc1nncs1
InChIInChI=1S/C8H5F2N3S2/c9-4-1-2-5(11)7(6(4)10)15-8-13-12-3-14-8/h1-3H,11H2
InChIKeyKTOZQAZEGVCZCS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.55
Rot. Bonds2

About 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline (PubChem CID 62532007) has the molecular formula C8H5F2N3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
PubChem CID62532007
Molecular FormulaC8H5F2N3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
SMILESNc1ccc(F)c(F)c1Sc1nncs1
InChIInChI=1S/C8H5F2N3S2/c9-4-1-2-5(11)7(6(4)10)15-8-13-12-3-14-8/h1-3H,11H2
InChIKeyKTOZQAZEGVCZCS-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline 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-(1,3,4-Thiadiazol-2-ylsulfanyl)aniline
CID 23171177
2-(1,3,4-Thiadiazol-2-ylsulfanyl)aniline
CID 28401689
2-(1,3,4-Thiadiazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 28401684
5-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 28412394
3-Fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 28972797
2-Fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60789217
3-Fluoro-5-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60875576
5-Fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 60876180
3,5-Difluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 61015935
4-Fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 62376654
4-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 62377156
3,4-Difluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 62531330

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
The IUPAC name of 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline (CID 62532007) is 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
The canonical SMILES for 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline is Nc1ccc(F)c(F)c1Sc1nncs1.
What is the InChIKey of 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
The InChIKey is KTOZQAZEGVCZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3S2/c9-4-1-2-5(11)7(6(4)10)15-8-13-12-3-14-8/h1-3H,11H2.
What are the key properties of 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline has a molecular weight of 245.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 62532007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).