4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine

C13H17FN4S — CID 55046754

IUPAC4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4S/c1-3-8-15-13-12(16-17-19-13)9-18(2)11-6-4-10(14)5-7-11/h4-7,15H,3,8-9H2,1-2H3
InChIKeyPZGSCJIVVQIRLT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.14
Rot. Bonds6

About 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine

4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046754) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine
PubChem CID55046754
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC Name4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4S/c1-3-8-15-13-12(16-17-19-13)9-18(2)11-6-4-10(14)5-7-11/h4-7,15H,3,8-9H2,1-2H3
InChIKeyPZGSCJIVVQIRLT-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine (CID 55046754) is 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is PZGSCJIVVQIRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-3-8-15-13-12(16-17-19-13)9-18(2)11-6-4-10(14)5-7-11/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine?
4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-N-methylanilino)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).