4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline

C11H12FN3S — CID 115884109

IUPAC4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline
SMILESCCc1ccc(NCc2csnn2)cc1F
InChIInChI=1S/C11H12FN3S/c1-2-8-3-4-9(5-11(8)12)13-6-10-7-16-15-14-10/h3-5,7,13H,2,6H2,1H3
InChIKeyJLSZEQXXZIJBCO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.85
Rot. Bonds4

About 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline

4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 115884109) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID115884109
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline
SMILESCCc1ccc(NCc2csnn2)cc1F
InChIInChI=1S/C11H12FN3S/c1-2-8-3-4-9(5-11(8)12)13-6-10-7-16-15-14-10/h3-5,7,13H,2,6H2,1H3
InChIKeyJLSZEQXXZIJBCO-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline 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-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline (CID 115884109) is 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline is CCc1ccc(NCc2csnn2)cc1F.
What is the InChIKey of 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is JLSZEQXXZIJBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-2-8-3-4-9(5-11(8)12)13-6-10-7-16-15-14-10/h3-5,7,13H,2,6H2,1H3.
What are the key properties of 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 237.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 115884109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).