2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C13H15N3O2S — CID 99774347

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCCc1nc(Cn2nc3c(cc2=O)COCC3)cs1
InChIInChI=1S/C13H15N3O2S/c1-2-12-14-10(8-19-12)6-16-13(17)5-9-7-18-4-3-11(9)15-16/h5,8H,2-4,6-7H2,1H3
InChIKeyQJRBPICQOSJUGJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.38
Rot. Bonds3

About 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 99774347) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID99774347
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCCc1nc(Cn2nc3c(cc2=O)COCC3)cs1
InChIInChI=1S/C13H15N3O2S/c1-2-12-14-10(8-19-12)6-16-13(17)5-9-7-18-4-3-11(9)15-16/h5,8H,2-4,6-7H2,1H3
InChIKeyQJRBPICQOSJUGJ-UHFFFAOYSA-N
XLogP1.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 99774347) is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is CCc1nc(Cn2nc3c(cc2=O)COCC3)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is QJRBPICQOSJUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-12-14-10(8-19-12)6-16-13(17)5-9-7-18-4-3-11(9)15-16/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 277.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 99774347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).