[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine

C8H9FN6S2 — CID 80926269

IUPAC[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
SMILESCCc1nsc(Sc2nc(NN)ncc2F)n1
InChIInChI=1S/C8H9FN6S2/c1-2-5-12-8(17-15-5)16-6-4(9)3-11-7(13-6)14-10/h3H,2,10H2,1H3,(H,11,13,14)
InChIKeyISPUNISEKRXPQA-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.47
Rot. Bonds4

About [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine

[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80926269) has the molecular formula C8H9FN6S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80926269
Molecular FormulaC8H9FN6S2
Molecular Weight272.33 g/mol
Exact Mass272.03
IUPAC Name[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
SMILESCCc1nsc(Sc2nc(NN)ncc2F)n1
InChIInChI=1S/C8H9FN6S2/c1-2-5-12-8(17-15-5)16-6-4(9)3-11-7(13-6)14-10/h3H,2,10H2,1H3,(H,11,13,14)
InChIKeyISPUNISEKRXPQA-UHFFFAOYSA-N
XLogP1.47
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 79075270
2-chloro-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79075485
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,2,4-thiadiazole
CID 80426536
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 80426679
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
CID 80426829
5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882418
5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882527
5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882932
5-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80883744
5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80885266
5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80885514
5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80885813

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine (CID 80926269) is [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine is CCc1nsc(Sc2nc(NN)ncc2F)n1.
What is the InChIKey of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is ISPUNISEKRXPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6S2/c1-2-5-12-8(17-15-5)16-6-4(9)3-11-7(13-6)14-10/h3H,2,10H2,1H3,(H,11,13,14).
What are the key properties of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine?
[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 272.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80926269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).