7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H14N4O3S — CID 167991252

IUPAC7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(Cc2cc(=O)n3ccsc3n2)c(=O)c(CO)c1C
InChIInChI=1S/C14H14N4O3S/c1-8-9(2)16-18(13(21)11(8)7-19)6-10-5-12(20)17-3-4-22-14(17)15-10/h3-5,19H,6-7H2,1-2H3
InChIKeyCCZQSKCLCOXSII-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.47
Rot. Bonds3

About 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 167991252) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID167991252
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(Cc2cc(=O)n3ccsc3n2)c(=O)c(CO)c1C
InChIInChI=1S/C14H14N4O3S/c1-8-9(2)16-18(13(21)11(8)7-19)6-10-5-12(20)17-3-4-22-14(17)15-10/h3-5,19H,6-7H2,1-2H3
InChIKeyCCZQSKCLCOXSII-UHFFFAOYSA-N
XLogP0.47
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 167991252) is 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nn(Cc2cc(=O)n3ccsc3n2)c(=O)c(CO)c1C.
What is the InChIKey of 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CCZQSKCLCOXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-8-9(2)16-18(13(21)11(8)7-19)6-10-5-12(20)17-3-4-22-14(17)15-10/h3-5,19H,6-7H2,1-2H3.
What are the key properties of 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 318.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 167991252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).