N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide

C17H15FN4O2S — CID 121033466

IUPACN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cs1
InChIInChI=1S/C17H15FN4O2S/c1-11-20-15(10-25-11)17(24)19-8-9-22-16(23)7-6-14(21-22)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,24)
InChIKeyNEWOVFPAYKPADP-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 121033466) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID121033466
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cs1
InChIInChI=1S/C17H15FN4O2S/c1-11-20-15(10-25-11)17(24)19-8-9-22-16(23)7-6-14(21-22)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,24)
InChIKeyNEWOVFPAYKPADP-UHFFFAOYSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 121033466) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cs1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NEWOVFPAYKPADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-11-20-15(10-25-11)17(24)19-8-9-22-16(23)7-6-14(21-22)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,24).
What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121033466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).