3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C8H14FN3S — CID 127002229

IUPAC3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)(C)CF)n1
InChIInChI=1S/C8H14FN3S/c1-4-6-10-7(13-12-6)11-8(2,3)5-9/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyQYPOYENKVWDXOH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.26
Rot. Bonds4

About 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 127002229) has the molecular formula C8H14FN3S and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID127002229
Molecular FormulaC8H14FN3S
Molecular Weight203.29 g/mol
Exact Mass203.09
IUPAC Name3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)(C)CF)n1
InChIInChI=1S/C8H14FN3S/c1-4-6-10-7(13-12-6)11-8(2,3)5-9/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyQYPOYENKVWDXOH-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 127002229) is 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(C)(C)CF)n1.
What is the InChIKey of 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QYPOYENKVWDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3S/c1-4-6-10-7(13-12-6)11-8(2,3)5-9/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-fluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 127002229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).