4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one

C16H20F2N4O2S — CID 126816670

IUPAC4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(-c2nc(CN3CCOC(C(F)F)C3)cs2)c1C
InChIInChI=1S/C16H20F2N4O2S/c1-9-10(2)20-21(3)16(23)13(9)15-19-11(8-25-15)6-22-4-5-24-12(7-22)14(17)18/h8,12,14H,4-7H2,1-3H3
InChIKeyHSRJNZODGUZFHR-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.99
Rot. Bonds4

About 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one

4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one (PubChem CID 126816670) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
PubChem CID126816670
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(-c2nc(CN3CCOC(C(F)F)C3)cs2)c1C
InChIInChI=1S/C16H20F2N4O2S/c1-9-10(2)20-21(3)16(23)13(9)15-19-11(8-25-15)6-22-4-5-24-12(7-22)14(17)18/h8,12,14H,4-7H2,1-3H3
InChIKeyHSRJNZODGUZFHR-UHFFFAOYSA-N
XLogP1.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
The IUPAC name of 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one (CID 126816670) is 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one.
What is the SMILES notation for 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
The canonical SMILES for 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one is Cc1nn(C)c(=O)c(-c2nc(CN3CCOC(C(F)F)C3)cs2)c1C.
What is the InChIKey of 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
The InChIKey is HSRJNZODGUZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c1-9-10(2)20-21(3)16(23)13(9)15-19-11(8-25-15)6-22-4-5-24-12(7-22)14(17)18/h8,12,14H,4-7H2,1-3H3.
What are the key properties of 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one?
4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one has a molecular weight of 370.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(difluoromethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one is sourced from PubChem (CID 126816670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).