(6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole

C14H16N4O2S — CID 145426007

IUPAC(6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole
SMILESCCc1nc(C(C)C)cs1.N#Cc1ccc(OC=O)nn1
InChIInChI=1S/C8H13NS.C6H3N3O2/c1-4-8-9-7(5-10-8)6(2)3;7-3-5-1-2-6(9-8-5)11-4-10/h5-6H,4H2,1-3H3;1-2,4H
InChIKeyGAWMOGKPPRUELD-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.71
Rot. Bonds4

About (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole

(6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole (PubChem CID 145426007) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name(6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole
PubChem CID145426007
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name(6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole
SMILESCCc1nc(C(C)C)cs1.N#Cc1ccc(OC=O)nn1
InChIInChI=1S/C8H13NS.C6H3N3O2/c1-4-8-9-7(5-10-8)6(2)3;7-3-5-1-2-6(9-8-5)11-4-10/h5-6H,4H2,1-3H3;1-2,4H
InChIKeyGAWMOGKPPRUELD-UHFFFAOYSA-N
XLogP2.71
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole (CID 145426007) is (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole is CCc1nc(C(C)C)cs1.N#Cc1ccc(OC=O)nn1.
What is the InChIKey of (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is GAWMOGKPPRUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.C6H3N3O2/c1-4-8-9-7(5-10-8)6(2)3;7-3-5-1-2-6(9-8-5)11-4-10/h5-6H,4H2,1-3H3;1-2,4H.
What are the key properties of (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole?
(6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 304.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyanopyridazin-3-yl) formate;2-ethyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 145426007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).