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

C11H15F2N5S2 — CID 38207610

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C11H15F2N5S2/c1-7(2)5-15-10-16-17-11(20-10)19-6-8-14-3-4-18(8)9(12)13/h3-4,7,9H,5-6H2,1-2H3,(H,15,16)
InChIKeyDQYSZZZIJWNMKY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.49
Rot. Bonds7

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

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 38207610) has the molecular formula C11H15F2N5S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID38207610
Molecular FormulaC11H15F2N5S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNc1nnc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C11H15F2N5S2/c1-7(2)5-15-10-16-17-11(20-10)19-6-8-14-3-4-18(8)9(12)13/h3-4,7,9H,5-6H2,1-2H3,(H,15,16)
InChIKeyDQYSZZZIJWNMKY-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.49
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-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 38207610) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)CNc1nnc(SCc2nccn2C(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DQYSZZZIJWNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5S2/c1-7(2)5-15-10-16-17-11(20-10)19-6-8-14-3-4-18(8)9(12)13/h3-4,7,9H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 319.41 g/mol, XLogP of 3.49, 7 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-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 38207610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).