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

C16H14F2N4O2S — CID 139521766

IUPACN-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCC1=O
InChIInChI=1S/C16H14F2N4O2S/c1-22-14(23)3-2-13(21-22)15(24)20-16-19-8-12(25-16)6-9-4-10(17)7-11(18)5-9/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,24)
InChIKeyLZOJPWPVLIEYET-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.56
Rot. Bonds4

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

N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521766) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521766
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCC1=O
InChIInChI=1S/C16H14F2N4O2S/c1-22-14(23)3-2-13(21-22)15(24)20-16-19-8-12(25-16)6-9-4-10(17)7-11(18)5-9/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,24)
InChIKeyLZOJPWPVLIEYET-UHFFFAOYSA-N
XLogP2.56
TPSA74.66 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153155
N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521796
N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521917
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17034915
4-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 175689173
1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78883708
(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide
CID 167327040
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17424534
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
CID 167831181
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 17034994
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
N-[5-[(3-formylphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521639

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521766) is N-[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 N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCC1=O.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LZOJPWPVLIEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-14(23)3-2-13(21-22)15(24)20-16-19-8-12(25-16)6-9-4-10(17)7-11(18)5-9/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,24).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[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 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).