7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

C18H18N6O2S — CID 70695977

IUPAC7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCCNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1
InChIInChI=1S/C18H18N6O2S/c1-3-19-18-21-20-14(27-18)10-24-17(25)15-11(2)23-26-16(15)13(22-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyGWOZCKNTUOJLEA-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.62
Rot. Bonds6

About 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 70695977) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID70695977
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCCNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1
InChIInChI=1S/C18H18N6O2S/c1-3-19-18-21-20-14(27-18)10-24-17(25)15-11(2)23-26-16(15)13(22-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyGWOZCKNTUOJLEA-UHFFFAOYSA-N
XLogP2.62
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 70695977) is 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is CCNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1.
What is the InChIKey of 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is GWOZCKNTUOJLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-3-19-18-21-20-14(27-18)10-24-17(25)15-11(2)23-26-16(15)13(22-24)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,21).
What are the key properties of 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 382.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 70695977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).