N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine

C11H12FN3OS — CID 62194055

IUPACN-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1COc1ccc(F)cc1
InChIInChI=1S/C11H12FN3OS/c1-2-13-11-10(14-15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6,13H,2,7H2,1H3
InChIKeyHGQJBLBFXRVOTC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.69
Rot. Bonds5

About N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine

N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62194055) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine
PubChem CID62194055
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC NameN-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1COc1ccc(F)cc1
InChIInChI=1S/C11H12FN3OS/c1-2-13-11-10(14-15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6,13H,2,7H2,1H3
InChIKeyHGQJBLBFXRVOTC-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine (CID 62194055) is N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine is CCNc1snnc1COc1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is HGQJBLBFXRVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-2-13-11-10(14-15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6,13H,2,7H2,1H3.
What are the key properties of N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine?
N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 253.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-fluorophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62194055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).