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

C15H14F3N5S — CID 133455885

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nccn1C(F)F)c1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H14F3N5S/c1-22(9-12-19-6-7-23(12)14(17)18)15-21-20-13(24-15)8-10-2-4-11(16)5-3-10/h2-7,14H,8-9H2,1H3
InChIKeyRKWVVSXSHPIDHP-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.50
Rot. Bonds6

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133455885) has the molecular formula C15H14F3N5S and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133455885
Molecular FormulaC15H14F3N5S
Molecular Weight353.37 g/mol
Exact Mass353.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nccn1C(F)F)c1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H14F3N5S/c1-22(9-12-19-6-7-23(12)14(17)18)15-21-20-13(24-15)8-10-2-4-11(16)5-3-10/h2-7,14H,8-9H2,1H3
InChIKeyRKWVVSXSHPIDHP-UHFFFAOYSA-N
XLogP3.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 133455885) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CN(Cc1nccn1C(F)F)c1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RKWVVSXSHPIDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5S/c1-22(9-12-19-6-7-23(12)14(17)18)15-21-20-13(24-15)8-10-2-4-11(16)5-3-10/h2-7,14H,8-9H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 353.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133455885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).