N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C8H6F5N3OS — CID 139221873

IUPACN-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H6F5N3OS/c9-7(10,8(11,12)13)5-15-16-6(18-5)14-4(17)3-1-2-3/h3H,1-2H2,(H,14,16,17)
InChIKeyJMQYVACGCBQYRR-UHFFFAOYSA-N
MW287.21 g/mol
LogP2.54
Rot. Bonds3

About N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 139221873) has the molecular formula C8H6F5N3OS and a molecular weight of 287.21 g/mol. Its IUPAC name is N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID139221873
Molecular FormulaC8H6F5N3OS
Molecular Weight287.21 g/mol
Exact Mass287.02
IUPAC NameN-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H6F5N3OS/c9-7(10,8(11,12)13)5-15-16-6(18-5)14-4(17)3-1-2-3/h3H,1-2H2,(H,14,16,17)
InChIKeyJMQYVACGCBQYRR-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 139221873) is N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1.
What is the InChIKey of N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JMQYVACGCBQYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N3OS/c9-7(10,8(11,12)13)5-15-16-6(18-5)14-4(17)3-1-2-3/h3H,1-2H2,(H,14,16,17).
What are the key properties of N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 287.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139221873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).