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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Related Compounds

1-(3,4-difluorobenzyl)-4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72837395
2-(1H-Imidazol-1-yl)-5-phenyl-1,3,4-thiadiazole
CID 15455670
1-[2-(3-fluorophenyl)ethyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 56740343
2-(1-(1H-imidazol-1-yl)propyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 71547998
3-Cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1-methylimidazol-4-yl)propyl]-1,2,4-triazole
CID 163875517
[4-(3-Imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-phenylmethanethione
CID 91371475
3-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 17447205
3-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole
CID 17463911
4-Benzyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazole
CID 24562109
3-[(5-Chloro-1-methylimidazol-2-yl)methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
CID 26236169
3-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
CID 37659034
3-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine
CID 37665415

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).