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

C16H14F2N4O2S — CID 175689173

IUPAC4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(N)=O)C(c2ncc(Cc3cc(F)cc(F)c3)s2)CC1=O
InChIInChI=1S/C16H14F2N4O2S/c1-22-13(23)6-12(14(21-22)15(19)24)16-20-7-11(25-16)4-8-2-9(17)5-10(18)3-8/h2-3,5,7,12H,4,6H2,1H3,(H2,19,24)
InChIKeyCPURXVBQDXEHRH-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.80
Rot. Bonds4

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

4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 175689173) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID175689173
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(N)=O)C(c2ncc(Cc3cc(F)cc(F)c3)s2)CC1=O
InChIInChI=1S/C16H14F2N4O2S/c1-22-13(23)6-12(14(21-22)15(19)24)16-20-7-11(25-16)4-8-2-9(17)5-10(18)3-8/h2-3,5,7,12H,4,6H2,1H3,(H2,19,24)
InChIKeyCPURXVBQDXEHRH-UHFFFAOYSA-N
XLogP1.80
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 175689173) is 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(N)=O)C(c2ncc(Cc3cc(F)cc(F)c3)s2)CC1=O.
What is the InChIKey of 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CPURXVBQDXEHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-13(23)6-12(14(21-22)15(19)24)16-20-7-11(25-16)4-8-2-9(17)5-10(18)3-8/h2-3,5,7,12H,4,6H2,1H3,(H2,19,24).
What are the key properties of 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 175689173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).