3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine

C14H18FN3S — CID 70975274

IUPAC3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN3S/c1-4-12-17-13(19-18-12)16-9-14(2,3)10-5-7-11(15)8-6-10/h5-8H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyBZLQTUQZWLHMHE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.63
Rot. Bonds5

About 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine (PubChem CID 70975274) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
PubChem CID70975274
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN3S/c1-4-12-17-13(19-18-12)16-9-14(2,3)10-5-7-11(15)8-6-10/h5-8H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyBZLQTUQZWLHMHE-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine (CID 70975274) is 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BZLQTUQZWLHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-4-12-17-13(19-18-12)16-9-14(2,3)10-5-7-11(15)8-6-10/h5-8H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 279.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70975274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).