2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one

C13H18N4OS — CID 82442767

IUPAC2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCCCNc1nc(-c2cc(C)nn(CC)c2=O)cs1
InChIInChI=1S/C13H18N4OS/c1-4-6-14-13-15-11(8-19-13)10-7-9(3)16-17(5-2)12(10)18/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyDAADICFKVAHEJV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.52
Rot. Bonds5

About 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one

2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one (PubChem CID 82442767) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
PubChem CID82442767
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCCCNc1nc(-c2cc(C)nn(CC)c2=O)cs1
InChIInChI=1S/C13H18N4OS/c1-4-6-14-13-15-11(8-19-13)10-7-9(3)16-17(5-2)12(10)18/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyDAADICFKVAHEJV-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
CID 82442841
2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442963
2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442688
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
1-cyclopropyl-6-methyl-3-[2-(propylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525170
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-ethylpyridazin-3-one
CID 82443590
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 9420097
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
4-(2-methyl-6-propan-2-yl-3-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 82452153
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 60676021

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one (CID 82442767) is 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one is CCCNc1nc(-c2cc(C)nn(CC)c2=O)cs1.
What is the InChIKey of 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The InChIKey is DAADICFKVAHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-6-14-13-15-11(8-19-13)10-7-9(3)16-17(5-2)12(10)18/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one is sourced from PubChem (CID 82442767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).