6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one

C15H13F2N5O2S — CID 170283985

IUPAC6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
SMILESCC(F)(F)COc1ncc(-c2ccc(=O)n(Cc3cncs3)n2)cn1
InChIInChI=1S/C15H13F2N5O2S/c1-15(16,17)8-24-14-19-4-10(5-20-14)12-2-3-13(23)22(21-12)7-11-6-18-9-25-11/h2-6,9H,7-8H2,1H3
InChIKeyNRMAEAFMASFNDS-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.24
Rot. Bonds6

About 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one

6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one (PubChem CID 170283985) has the molecular formula C15H13F2N5O2S and a molecular weight of 365.37 g/mol. Its IUPAC name is 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
PubChem CID170283985
Molecular FormulaC15H13F2N5O2S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC Name6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
SMILESCC(F)(F)COc1ncc(-c2ccc(=O)n(Cc3cncs3)n2)cn1
InChIInChI=1S/C15H13F2N5O2S/c1-15(16,17)8-24-14-19-4-10(5-20-14)12-2-3-13(23)22(21-12)7-11-6-18-9-25-11/h2-6,9H,7-8H2,1H3
InChIKeyNRMAEAFMASFNDS-UHFFFAOYSA-N
XLogP2.24
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2-fluoro-2-phosphanylpropoxy)pyrimidin-5-yl]pyridazin-3-one
CID 170284215
6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]pyridazin-3-one
CID 170283966
2-[(3,5-difluorophenyl)methyl]-6-[2-(2,2-difluoro-2-phosphanylethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 170316230
2-[[6-(2-fluoropropyl)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 170204639
2-[(Z)-3-methylpent-2-enyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 174112849
6-[2-(2,2-difluoro-2-phosphanylethoxy)pyrimidin-5-yl]-2-[(2-fluoro-6-phosphanylphenyl)methyl]pyridazin-3-one
CID 170316197
2-[[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158844804
6-[2-(2,2-difluoro-2-iodoethoxy)pyrimidin-5-yl]-2-[(5-iodo-1,3-benzoxazol-2-yl)methyl]pyridazin-3-one
CID 170283963
6-[2-(3,3-difluoro-3-iodopropoxy)pyrimidin-5-yl]-2-[(5-fluoro-3-pyridinyl)methyl]pyridazin-3-one
CID 170204533
5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 161238541
5-bromo-2-chloropyrimidine;5-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine;2-[(4-chlorophenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]boronic acid;3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1H-pyridazin-6-one
CID 157230592
2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile
CID 161294986

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one (CID 170283985) is 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one is CC(F)(F)COc1ncc(-c2ccc(=O)n(Cc3cncs3)n2)cn1.
What is the InChIKey of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The InChIKey is NRMAEAFMASFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2S/c1-15(16,17)8-24-14-19-4-10(5-20-14)12-2-3-13(23)22(21-12)7-11-6-18-9-25-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one has a molecular weight of 365.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 170283985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).