5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine

C13H18FN5S — CID 144878561

IUPAC5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1ccc(CCCCc2nnc(NC)s2)c(F)n1
InChIInChI=1S/C13H18FN5S/c1-15-10-8-7-9(12(14)17-10)5-3-4-6-11-18-19-13(16-2)20-11/h7-8H,3-6H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyQNSXZKHTBSVLQD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.72
Rot. Bonds7

About 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 144878561) has the molecular formula C13H18FN5S and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID144878561
Molecular FormulaC13H18FN5S
Molecular Weight295.39 g/mol
Exact Mass295.13
IUPAC Name5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1ccc(CCCCc2nnc(NC)s2)c(F)n1
InChIInChI=1S/C13H18FN5S/c1-15-10-8-7-9(12(14)17-10)5-3-4-6-11-18-19-13(16-2)20-11/h7-8H,3-6H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyQNSXZKHTBSVLQD-UHFFFAOYSA-N
XLogP2.72
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
2-(4-chlorophenyl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565335
N-methyl-5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-amine
CID 13272840
N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 139565216
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767785
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
2-(2,4-difluoro-3-hydroxyphenyl)-N-[5-[5-(methylamino)-5-sulfanylidenepentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 145168351
2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565233
5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606202
2-methyl-N-[5-[4-[5-[(2-methyl-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylpropanamide
CID 90165486
5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607754

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 144878561) is 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1ccc(CCCCc2nnc(NC)s2)c(F)n1.
What is the InChIKey of 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QNSXZKHTBSVLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5S/c1-15-10-8-7-9(12(14)17-10)5-3-4-6-11-18-19-13(16-2)20-11/h7-8H,3-6H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 144878561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).