N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H13FN4O2S — CID 8892139

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(=O)n(C)n2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O2S/c1-9-14(10-3-5-11(17)6-4-10)18-16(24-9)19-15(23)12-7-8-13(22)21(2)20-12/h3-8H,1-2H3,(H,18,19,23)
InChIKeyJVMOVSCQDJMIIS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.60
Rot. Bonds3

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 8892139) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID8892139
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(=O)n(C)n2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O2S/c1-9-14(10-3-5-11(17)6-4-10)18-16(24-9)19-15(23)12-7-8-13(22)21(2)20-12/h3-8H,1-2H3,(H,18,19,23)
InChIKeyJVMOVSCQDJMIIS-UHFFFAOYSA-N
XLogP2.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 8892139) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1sc(NC(=O)c2ccc(=O)n(C)n2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is JVMOVSCQDJMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-9-14(10-3-5-11(17)6-4-10)18-16(24-9)19-15(23)12-7-8-13(22)21(2)20-12/h3-8H,1-2H3,(H,18,19,23).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8892139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).