N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine

C11H8F5N3OS — CID 62193628

IUPACN-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H8F5N3OS/c1-2-17-11-4(18-19-21-11)3-20-10-8(15)6(13)5(12)7(14)9(10)16/h17H,2-3H2,1H3
InChIKeyUCYZSBZBGWOYNF-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.24
Rot. Bonds5

About N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine

N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193628) has the molecular formula C11H8F5N3OS and a molecular weight of 325.26 g/mol. Its IUPAC name is N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine
PubChem CID62193628
Molecular FormulaC11H8F5N3OS
Molecular Weight325.26 g/mol
Exact Mass325.03
IUPAC NameN-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H8F5N3OS/c1-2-17-11-4(18-19-21-11)3-20-10-8(15)6(13)5(12)7(14)9(10)16/h17H,2-3H2,1H3
InChIKeyUCYZSBZBGWOYNF-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine (CID 62193628) is N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine is CCNc1snnc1COc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is UCYZSBZBGWOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N3OS/c1-2-17-11-4(18-19-21-11)3-20-10-8(15)6(13)5(12)7(14)9(10)16/h17H,2-3H2,1H3.
What are the key properties of N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine?
N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 325.26 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 N-ethyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).