4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one

C13H19N5O2S — CID 82443741

IUPAC4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(C)(C)C)cc(-c2nnc(N)s2)c1=O
InChIInChI=1S/C13H19N5O2S/c1-13(2,3)9-7-8(10-15-16-12(14)21-10)11(19)18(17-9)5-6-20-4/h7H,5-6H2,1-4H3,(H2,14,16)
InChIKeyPYMKPECOWJMPPZ-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.29
Rot. Bonds4

About 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one

4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 82443741) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID82443741
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(C)(C)C)cc(-c2nnc(N)s2)c1=O
InChIInChI=1S/C13H19N5O2S/c1-13(2,3)9-7-8(10-15-16-12(14)21-10)11(19)18(17-9)5-6-20-4/h7H,5-6H2,1-4H3,(H2,14,16)
InChIKeyPYMKPECOWJMPPZ-UHFFFAOYSA-N
XLogP1.29
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one with MolForge

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Related Compounds

4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82467437
6-tert-butyl-2-(2-methoxyethyl)-3-oxopyridazine-4-carbothioamide
CID 82443730
6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one
CID 82443589
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
CID 82443633
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one
CID 82443590
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
CID 82447694
3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine
CID 121222599
1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526499
1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526502
2-butyl-6-tert-butyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443714
methyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
CID 121214084

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one (CID 82443741) is 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(C)(C)C)cc(-c2nnc(N)s2)c1=O.
What is the InChIKey of 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is PYMKPECOWJMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-13(2,3)9-7-8(10-15-16-12(14)21-10)11(19)18(17-9)5-6-20-4/h7H,5-6H2,1-4H3,(H2,14,16).
What are the key properties of 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one?
4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 309.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 82443741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).