4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one

C14H20N4OS — CID 82443633

IUPAC4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)(C)C)cc(-c2csc(N)n2)c1=O
InChIInChI=1S/C14H20N4OS/c1-5-6-18-12(19)9(10-8-20-13(15)16-10)7-11(17-18)14(2,3)4/h7-8H,5-6H2,1-4H3,(H2,15,16)
InChIKeyLZIBULFBITUKGJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.66
Rot. Bonds3

About 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one

4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one (PubChem CID 82443633) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
PubChem CID82443633
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)(C)C)cc(-c2csc(N)n2)c1=O
InChIInChI=1S/C14H20N4OS/c1-5-6-18-12(19)9(10-8-20-13(15)16-10)7-11(17-18)14(2,3)4/h7-8H,5-6H2,1-4H3,(H2,15,16)
InChIKeyLZIBULFBITUKGJ-UHFFFAOYSA-N
XLogP2.66
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one (CID 82443633) is 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one is CCCn1nc(C(C)(C)C)cc(-c2csc(N)n2)c1=O.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one?
The InChIKey is LZIBULFBITUKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-6-18-12(19)9(10-8-20-13(15)16-10)7-11(17-18)14(2,3)4/h7-8H,5-6H2,1-4H3,(H2,15,16).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one?
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one has a molecular weight of 292.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82443633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).