4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine

C12H15FN4S — CID 55046224

IUPAC4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine
SMILESCCN(Cc1nnsc1NC)c1ccc(F)cc1
InChIInChI=1S/C12H15FN4S/c1-3-17(10-6-4-9(13)5-7-10)8-11-12(14-2)18-16-15-11/h4-7,14H,3,8H2,1-2H3
InChIKeyCBKAEAJRGANWST-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.75
Rot. Bonds5

About 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine

4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine (PubChem CID 55046224) has the molecular formula C12H15FN4S and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine
PubChem CID55046224
Molecular FormulaC12H15FN4S
Molecular Weight266.35 g/mol
Exact Mass266.10
IUPAC Name4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine
SMILESCCN(Cc1nnsc1NC)c1ccc(F)cc1
InChIInChI=1S/C12H15FN4S/c1-3-17(10-6-4-9(13)5-7-10)8-11-12(14-2)18-16-15-11/h4-7,14H,3,8H2,1-2H3
InChIKeyCBKAEAJRGANWST-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine (CID 55046224) is 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine is CCN(Cc1nnsc1NC)c1ccc(F)cc1.
What is the InChIKey of 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is CBKAEAJRGANWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-3-17(10-6-4-9(13)5-7-10)8-11-12(14-2)18-16-15-11/h4-7,14H,3,8H2,1-2H3.
What are the key properties of 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine?
4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 266.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-4-fluoroanilino)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 55046224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).