4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

C14H19FN4S — CID 62184466

IUPAC4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H19FN4S/c1-3-7-16-14-13(17-18-20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8,16H,3,7,9-10H2,1-2H3
InChIKeyGWYLWJCAXCOIGZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.13
Rot. Bonds7

About 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62184466) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62184466
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H19FN4S/c1-3-7-16-14-13(17-18-20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8,16H,3,7,9-10H2,1-2H3
InChIKeyGWYLWJCAXCOIGZ-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 62184466) is 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)Cc1cccc(F)c1.
What is the InChIKey of 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is GWYLWJCAXCOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-3-7-16-14-13(17-18-20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8,16H,3,7,9-10H2,1-2H3.
What are the key properties of 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 294.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62184466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).