[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C15H19N5OS — CID 86893698

IUPAC[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cs1
InChIInChI=1S/C15H19N5OS/c1-11-17-13(10-22-11)15(21)20-8-5-12(6-9-20)19(2)14-4-3-7-16-18-14/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyPVEVVHJDLSNRJM-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.98
Rot. Bonds3

About [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 86893698) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID86893698
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cs1
InChIInChI=1S/C15H19N5OS/c1-11-17-13(10-22-11)15(21)20-8-5-12(6-9-20)19(2)14-4-3-7-16-18-14/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyPVEVVHJDLSNRJM-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 86893698) is [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cs1.
What is the InChIKey of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is PVEVVHJDLSNRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-17-13(10-22-11)15(21)20-8-5-12(6-9-20)19(2)14-4-3-7-16-18-14/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 317.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 86893698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).