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

C13H18N4OS — CID 82443590

IUPAC4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)(C)C)cc(-c2csc(N)n2)c1=O
InChIInChI=1S/C13H18N4OS/c1-5-17-11(18)8(9-7-19-12(14)15-9)6-10(16-17)13(2,3)4/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyDWCSUKBDKMXYEJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.27
Rot. Bonds2

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

4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one (PubChem CID 82443590) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one
PubChem CID82443590
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)(C)C)cc(-c2csc(N)n2)c1=O
InChIInChI=1S/C13H18N4OS/c1-5-17-11(18)8(9-7-19-12(14)15-9)6-10(16-17)13(2,3)4/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyDWCSUKBDKMXYEJ-UHFFFAOYSA-N
XLogP2.27
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
CID 82443633
6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one
CID 82443589
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
4-(5-amino-1,3,4-thiadiazol-2-yl)-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82443741
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565
4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485376
3-(2-amino-1,3-thiazol-4-yl)-6-methyl-1-propylpyridin-2-one
CID 82525318
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
2-butyl-6-tert-butyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443714
2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one
CID 82442747
4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82467437

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one (CID 82443590) is 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one is CCn1nc(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-ethylpyridazin-3-one?
The InChIKey is DWCSUKBDKMXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-17-11(18)8(9-7-19-12(14)15-9)6-10(16-17)13(2,3)4/h6-7H,5H2,1-4H3,(H2,14,15).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one?
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 2.27, 2 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-ethylpyridazin-3-one is sourced from PubChem (CID 82443590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).