5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C15H16FN5S — CID 133466137

IUPAC5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nccn1C)c1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H16FN5S/c1-20-8-7-17-13(20)10-21(2)15-19-18-14(22-15)9-11-3-5-12(16)6-4-11/h3-8H,9-10H2,1-2H3
InChIKeyOMIYWVZSZVLXOD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.64
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133466137) has the molecular formula C15H16FN5S and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133466137
Molecular FormulaC15H16FN5S
Molecular Weight317.39 g/mol
Exact Mass317.11
IUPAC Name5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nccn1C)c1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H16FN5S/c1-20-8-7-17-13(20)10-21(2)15-19-18-14(22-15)9-11-3-5-12(16)6-4-11/h3-8H,9-10H2,1-2H3
InChIKeyOMIYWVZSZVLXOD-UHFFFAOYSA-N
XLogP2.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 133466137) is 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is CN(Cc1nccn1C)c1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OMIYWVZSZVLXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5S/c1-20-8-7-17-13(20)10-21(2)15-19-18-14(22-15)9-11-3-5-12(16)6-4-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 317.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133466137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).