2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one

C19H19N3O2S2 — CID 53041204

IUPAC2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one
SMILESCc1ccc(C(=O)N2CCC(n3nc(-c4ccsc4)ccc3=O)CC2)s1
InChIInChI=1S/C19H19N3O2S2/c1-13-2-4-17(26-13)19(24)21-9-6-15(7-10-21)22-18(23)5-3-16(20-22)14-8-11-25-12-14/h2-5,8,11-12,15H,6-7,9-10H2,1H3
InChIKeyFKRVYDOFDWTWEB-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.82
Rot. Bonds3

About 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one

2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one (PubChem CID 53041204) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one
PubChem CID53041204
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one
SMILESCc1ccc(C(=O)N2CCC(n3nc(-c4ccsc4)ccc3=O)CC2)s1
InChIInChI=1S/C19H19N3O2S2/c1-13-2-4-17(26-13)19(24)21-9-6-15(7-10-21)22-18(23)5-3-16(20-22)14-8-11-25-12-14/h2-5,8,11-12,15H,6-7,9-10H2,1H3
InChIKeyFKRVYDOFDWTWEB-UHFFFAOYSA-N
XLogP3.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
The IUPAC name of 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one (CID 53041204) is 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
The canonical SMILES for 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one is Cc1ccc(C(=O)N2CCC(n3nc(-c4ccsc4)ccc3=O)CC2)s1.
What is the InChIKey of 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
The InChIKey is FKRVYDOFDWTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-2-4-17(26-13)19(24)21-9-6-15(7-10-21)22-18(23)5-3-16(20-22)14-8-11-25-12-14/h2-5,8,11-12,15H,6-7,9-10H2,1H3.
What are the key properties of 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one has a molecular weight of 385.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one is sourced from PubChem (CID 53041204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).