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

C10H11F2N3OS — CID 75522326

IUPAC5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1ccc(CNc2nnc(C(F)F)s2)o1
InChIInChI=1S/C10H11F2N3OS/c1-2-6-3-4-7(16-6)5-13-10-15-14-9(17-10)8(11)12/h3-4,8H,2,5H2,1H3,(H,13,15)
InChIKeyGIBQCSJDTUOWBY-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.24
Rot. Bonds5

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

5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 75522326) has the molecular formula C10H11F2N3OS and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID75522326
Molecular FormulaC10H11F2N3OS
Molecular Weight259.28 g/mol
Exact Mass259.06
IUPAC Name5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1ccc(CNc2nnc(C(F)F)s2)o1
InChIInChI=1S/C10H11F2N3OS/c1-2-6-3-4-7(16-6)5-13-10-15-14-9(17-10)8(11)12/h3-4,8H,2,5H2,1H3,(H,13,15)
InChIKeyGIBQCSJDTUOWBY-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 75522326) is 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1ccc(CNc2nnc(C(F)F)s2)o1.
What is the InChIKey of 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GIBQCSJDTUOWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3OS/c1-2-6-3-4-7(16-6)5-13-10-15-14-9(17-10)8(11)12/h3-4,8H,2,5H2,1H3,(H,13,15).
What are the key properties of 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 259.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(5-ethylfuran-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75522326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).