[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine

C12H18N6S2 — CID 80980190

IUPAC[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCCc1nsc(Sc2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C12H18N6S2/c1-5-7-15-11(20-18-7)19-9-6-8(17-13)14-10(16-9)12(2,3)4/h6H,5,13H2,1-4H3,(H,14,16,17)
InChIKeyMCBGZASUIZYRJZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.62
Rot. Bonds4

About [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine (PubChem CID 80980190) has the molecular formula C12H18N6S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
PubChem CID80980190
Molecular FormulaC12H18N6S2
Molecular Weight310.45 g/mol
Exact Mass310.10
IUPAC Name[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCCc1nsc(Sc2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C12H18N6S2/c1-5-7-15-11(20-18-7)19-9-6-8(17-13)14-10(16-9)12(2,3)4/h6H,5,13H2,1-4H3,(H,14,16,17)
InChIKeyMCBGZASUIZYRJZ-UHFFFAOYSA-N
XLogP2.62
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.62
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

2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980095
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
5-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80972938
(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979287
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107785381
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720407
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566901

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine (CID 80980190) is [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine is CCc1nsc(Sc2cc(NN)nc(C(C)(C)C)n2)n1.
What is the InChIKey of [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The InChIKey is MCBGZASUIZYRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S2/c1-5-7-15-11(20-18-7)19-9-6-8(17-13)14-10(16-9)12(2,3)4/h6H,5,13H2,1-4H3,(H,14,16,17).
What are the key properties of [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine has a molecular weight of 310.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).