[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

C10H11N5S2 — CID 80979587

IUPAC[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2nccs2)nc(C2CC2)n1
InChIInChI=1S/C10H11N5S2/c11-15-7-5-8(17-10-12-3-4-16-10)14-9(13-7)6-1-2-6/h3-6H,1-2,11H2,(H,13,14,15)
InChIKeyOPVJSUUEQSZGKM-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.25
Rot. Bonds4

About [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 80979587) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID80979587
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC Name[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2nccs2)nc(C2CC2)n1
InChIInChI=1S/C10H11N5S2/c11-15-7-5-8(17-10-12-3-4-16-10)14-9(13-7)6-1-2-6/h3-6H,1-2,11H2,(H,13,14,15)
InChIKeyOPVJSUUEQSZGKM-UHFFFAOYSA-N
XLogP2.25
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 80979587) is [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is NNc1cc(Sc2nccs2)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is OPVJSUUEQSZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c11-15-7-5-8(17-10-12-3-4-16-10)14-9(13-7)6-1-2-6/h3-6H,1-2,11H2,(H,13,14,15).
What are the key properties of [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 265.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).