2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one

C12H15N3O2S — CID 99844117

IUPAC2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
SMILESCCO[C@@H](C)c1nc(Cn2ncccc2=O)cs1
InChIInChI=1S/C12H15N3O2S/c1-3-17-9(2)12-14-10(8-18-12)7-15-11(16)5-4-6-13-15/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyDAHXFPSHDQMUOF-VIFPVBQESA-N
MW265.34 g/mol
LogP1.85
Rot. Bonds5

About 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one

2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 99844117) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
PubChem CID99844117
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
SMILESCCO[C@@H](C)c1nc(Cn2ncccc2=O)cs1
InChIInChI=1S/C12H15N3O2S/c1-3-17-9(2)12-14-10(8-18-12)7-15-11(16)5-4-6-13-15/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyDAHXFPSHDQMUOF-VIFPVBQESA-N
XLogP1.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one (CID 99844117) is 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one is CCO[C@@H](C)c1nc(Cn2ncccc2=O)cs1.
What is the InChIKey of 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is DAHXFPSHDQMUOF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-17-9(2)12-14-10(8-18-12)7-15-11(16)5-4-6-13-15/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one?
2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 99844117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).