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

C16H15FN4O2S — CID 39220882

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC1=O
InChIInChI=1S/C16H15FN4O2S/c1-21-14(22)6-5-13(20-21)15(23)19-16-18-9-12(24-16)8-10-3-2-4-11(17)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,18,19,23)
InChIKeyPEKBPTUIVYBGCR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.42
Rot. Bonds4

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

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 39220882) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID39220882
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC1=O
InChIInChI=1S/C16H15FN4O2S/c1-21-14(22)6-5-13(20-21)15(23)19-16-18-9-12(24-16)8-10-3-2-4-11(17)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,18,19,23)
InChIKeyPEKBPTUIVYBGCR-UHFFFAOYSA-N
XLogP2.42
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 39220882) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC1=O.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PEKBPTUIVYBGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21-14(22)6-5-13(20-21)15(23)19-16-18-9-12(24-16)8-10-3-2-4-11(17)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,18,19,23).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 39220882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).