[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine

C11H16N6S2 — CID 80980095

IUPAC[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCCc1nsc(Sc2cc(NN)nc(C(C)C)n2)n1
InChIInChI=1S/C11H16N6S2/c1-4-7-14-11(19-17-7)18-9-5-8(16-12)13-10(15-9)6(2)3/h5-6H,4,12H2,1-3H3,(H,13,15,16)
InChIKeyREYXBXXBRKLJJJ-UHFFFAOYSA-N
MW296.43 g/mol
LogP2.45
Rot. Bonds5

About [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80980095) has the molecular formula C11H16N6S2 and a molecular weight of 296.43 g/mol. Its IUPAC name is [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80980095
Molecular FormulaC11H16N6S2
Molecular Weight296.43 g/mol
Exact Mass296.09
IUPAC Name[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCCc1nsc(Sc2cc(NN)nc(C(C)C)n2)n1
InChIInChI=1S/C11H16N6S2/c1-4-7-14-11(19-17-7)18-9-5-8(16-12)13-10(15-9)6(2)3/h5-6H,4,12H2,1-3H3,(H,13,15,16)
InChIKeyREYXBXXBRKLJJJ-UHFFFAOYSA-N
XLogP2.45
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 52.45
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'}

Analyze [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine with MolForge

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Related Compounds

[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80663619
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
CID 113380415
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720407
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80979774
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80647034

Frequently Asked Questions

What is the IUPAC name of [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80980095) is [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine is CCc1nsc(Sc2cc(NN)nc(C(C)C)n2)n1.
What is the InChIKey of [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is REYXBXXBRKLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S2/c1-4-7-14-11(19-17-7)18-9-5-8(16-12)13-10(15-9)6(2)3/h5-6H,4,12H2,1-3H3,(H,13,15,16).
What are the key properties of [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 296.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).