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

C18H17FN6OS — CID 68778450

IUPAC4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H17FN6OS/c19-14-5-3-13(4-6-14)15-12-27-18(21-15)25-10-8-24(9-11-25)17(26)22-16-2-1-7-20-23-16/h1-7,12H,8-11H2,(H,22,23,26)
InChIKeyQSJIRCSPICHERJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.09
Rot. Bonds3

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

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide (PubChem CID 68778450) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
PubChem CID68778450
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H17FN6OS/c19-14-5-3-13(4-6-14)15-12-27-18(21-15)25-10-8-24(9-11-25)17(26)22-16-2-1-7-20-23-16/h1-7,12H,8-11H2,(H,22,23,26)
InChIKeyQSJIRCSPICHERJ-UHFFFAOYSA-N
XLogP3.09
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide (CID 68778450) is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide is O=C(Nc1cccnn1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The InChIKey is QSJIRCSPICHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6OS/c19-14-5-3-13(4-6-14)15-12-27-18(21-15)25-10-8-24(9-11-25)17(26)22-16-2-1-7-20-23-16/h1-7,12H,8-11H2,(H,22,23,26).
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 68778450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).