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

C10H10FN3S — CID 43663928

IUPAC3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)cc1F
InChIInChI=1S/C10H10FN3S/c1-7-2-3-8(4-10(7)11)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeySRXRQVUTKUYJBN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

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

3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663928) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663928
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)cc1F
InChIInChI=1S/C10H10FN3S/c1-7-2-3-8(4-10(7)11)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeySRXRQVUTKUYJBN-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methyl-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 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 43663928) is 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(NCc2csnn2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is SRXRQVUTKUYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-2-3-8(4-10(7)11)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 223.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).