1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H18FN5OS — CID 30866798

IUPAC1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-3-1-13(2-4-15)16-5-6-17(24-23-16)25-10-7-14(8-11-25)18(26)22-19-21-9-12-27-19/h1-6,9,12,14H,7-8,10-11H2,(H,21,22,26)
InChIKeyPYLRWMLHQNIZOO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.59
Rot. Bonds4

About 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 30866798) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID30866798
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-3-1-13(2-4-15)16-5-6-17(24-23-16)25-10-7-14(8-11-25)18(26)22-19-21-9-12-27-19/h1-6,9,12,14H,7-8,10-11H2,(H,21,22,26)
InChIKeyPYLRWMLHQNIZOO-UHFFFAOYSA-N
XLogP3.59
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 30866798) is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PYLRWMLHQNIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-15-3-1-13(2-4-15)16-5-6-17(24-23-16)25-10-7-14(8-11-25)18(26)22-19-21-9-12-27-19/h1-6,9,12,14H,7-8,10-11H2,(H,21,22,26).
What are the key properties of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30866798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).