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

C9H8F5N5S2 — CID 60605163

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C9H8F5N5S2/c10-6(11)19-2-1-15-5(19)3-20-8-18-17-7(21-8)16-4-9(12,13)14/h1-2,6H,3-4H2,(H,16,17)
InChIKeyNMCCRPIFNSXYGO-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.40
Rot. Bonds6

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

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 60605163) has the molecular formula C9H8F5N5S2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID60605163
Molecular FormulaC9H8F5N5S2
Molecular Weight345.32 g/mol
Exact Mass345.01
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C9H8F5N5S2/c10-6(11)19-2-1-15-5(19)3-20-8-18-17-7(21-8)16-4-9(12,13)14/h1-2,6H,3-4H2,(H,16,17)
InChIKeyNMCCRPIFNSXYGO-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 60605163) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is FC(F)n1ccnc1CSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NMCCRPIFNSXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N5S2/c10-6(11)19-2-1-15-5(19)3-20-8-18-17-7(21-8)16-4-9(12,13)14/h1-2,6H,3-4H2,(H,16,17).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 345.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 60605163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).