6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile

C12H12N4OS2 — CID 142616833

IUPAC6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile
SMILESCC(C)c1csc(CSOc2ccc(C#N)nn2)n1
InChIInChI=1S/C12H12N4OS2/c1-8(2)10-6-18-12(14-10)7-19-17-11-4-3-9(5-13)15-16-11/h3-4,6,8H,7H2,1-2H3
InChIKeyDQNANENZVATNIQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.16
Rot. Bonds5

About 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile

6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile (PubChem CID 142616833) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile
PubChem CID142616833
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile
SMILESCC(C)c1csc(CSOc2ccc(C#N)nn2)n1
InChIInChI=1S/C12H12N4OS2/c1-8(2)10-6-18-12(14-10)7-19-17-11-4-3-9(5-13)15-16-11/h3-4,6,8H,7H2,1-2H3
InChIKeyDQNANENZVATNIQ-UHFFFAOYSA-N
XLogP3.16
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile (CID 142616833) is 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile is CC(C)c1csc(CSOc2ccc(C#N)nn2)n1.
What is the InChIKey of 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile?
The InChIKey is DQNANENZVATNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-8(2)10-6-18-12(14-10)7-19-17-11-4-3-9(5-13)15-16-11/h3-4,6,8H,7H2,1-2H3.
What are the key properties of 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile?
6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-yl-1,3-thiazol-2-yl)methylsulfanyloxy]pyridazine-3-carbonitrile is sourced from PubChem (CID 142616833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).