2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane

C19H26N4O3S — CID 168980196

IUPAC2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane
SMILESCCC(C)C.CCc1nn(CC(=O)Nc2ncco2)c(=O)c2sc(C)cc12
InChIInChI=1S/C14H14N4O3S.C5H12/c1-3-10-9-6-8(2)22-12(9)13(20)18(17-10)7-11(19)16-14-15-4-5-21-14;1-4-5(2)3/h4-6H,3,7H2,1-2H3,(H,15,16,19);5H,4H2,1-3H3
InChIKeyRNPWXJHJGCMIMZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.01
Rot. Bonds5

About 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane

2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane (PubChem CID 168980196) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane.

Molecular Properties

Compound Name2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane
PubChem CID168980196
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane
SMILESCCC(C)C.CCc1nn(CC(=O)Nc2ncco2)c(=O)c2sc(C)cc12
InChIInChI=1S/C14H14N4O3S.C5H12/c1-3-10-9-6-8(2)22-12(9)13(20)18(17-10)7-11(19)16-14-15-4-5-21-14;1-4-5(2)3/h4-6H,3,7H2,1-2H3,(H,15,16,19);5H,4H2,1-3H3
InChIKeyRNPWXJHJGCMIMZ-UHFFFAOYSA-N
XLogP4.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane?
The IUPAC name of 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane (CID 168980196) is 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane.
What is the SMILES notation for 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane?
The canonical SMILES for 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane is CCC(C)C.CCc1nn(CC(=O)Nc2ncco2)c(=O)c2sc(C)cc12.
What is the InChIKey of 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane?
The InChIKey is RNPWXJHJGCMIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S.C5H12/c1-3-10-9-6-8(2)22-12(9)13(20)18(17-10)7-11(19)16-14-15-4-5-21-14;1-4-5(2)3/h4-6H,3,7H2,1-2H3,(H,15,16,19);5H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane?
2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane has a molecular weight of 390.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)-N-(1,3-oxazol-2-yl)acetamide;2-methylbutane is sourced from PubChem (CID 168980196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).