4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

C14H19FN4S — CID 62208073

IUPAC4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-3-8-16-14-13(17-18-20-14)10-19(2)9-11-6-4-5-7-12(11)15/h4-7,16H,3,8-10H2,1-2H3
InChIKeyUYYTVANQQPXLRL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.13
Rot. Bonds7

About 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62208073) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62208073
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-3-8-16-14-13(17-18-20-14)10-19(2)9-11-6-4-5-7-12(11)15/h4-7,16H,3,8-10H2,1-2H3
InChIKeyUYYTVANQQPXLRL-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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Related Compounds

4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 63966703
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 62183362
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62181934
4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184109
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184460

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 62208073) is 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)Cc1ccccc1F.
What is the InChIKey of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is UYYTVANQQPXLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-3-8-16-14-13(17-18-20-14)10-19(2)9-11-6-4-5-7-12(11)15/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[(2-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-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62208073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).