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

C8H6F5N5S — CID 75505628

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F5N5S/c9-6(10)18-2-1-14-4(18)3-15-7-17-16-5(19-7)8(11,12)13/h1-2,6H,3H2,(H,15,17)
InChIKeySKUPCRLIDYWYBJ-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.76
Rot. Bonds4

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 75505628) has the molecular formula C8H6F5N5S and a molecular weight of 299.23 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID75505628
Molecular FormulaC8H6F5N5S
Molecular Weight299.23 g/mol
Exact Mass299.03
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F5N5S/c9-6(10)18-2-1-14-4(18)3-15-7-17-16-5(19-7)8(11,12)13/h1-2,6H,3H2,(H,15,17)
InChIKeySKUPCRLIDYWYBJ-UHFFFAOYSA-N
XLogP2.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
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-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 75505628) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)n1ccnc1CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SKUPCRLIDYWYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N5S/c9-6(10)18-2-1-14-4(18)3-15-7-17-16-5(19-7)8(11,12)13/h1-2,6H,3H2,(H,15,17).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 299.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 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-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75505628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).