[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C20H20N4O2S — CID 72717289

IUPAC[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)nn1
InChIInChI=1S/C20H20N4O2S/c1-14-7-8-18(23-22-14)26-16-9-11-24(12-10-16)20(25)17-13-27-19(21-17)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyIMUSCNIINYHUJY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.59
Rot. Bonds4

About [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 72717289) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID72717289
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)nn1
InChIInChI=1S/C20H20N4O2S/c1-14-7-8-18(23-22-14)26-16-9-11-24(12-10-16)20(25)17-13-27-19(21-17)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyIMUSCNIINYHUJY-UHFFFAOYSA-N
XLogP3.59
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 72717289) is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is IMUSCNIINYHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-7-8-18(23-22-14)26-16-9-11-24(12-10-16)20(25)17-13-27-19(21-17)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 380.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72717289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).