4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one

C13H18N4OS — CID 82442840

IUPAC4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(-c2csc(NCC)n2)c1=O
InChIInChI=1S/C13H18N4OS/c1-4-6-17-12(18)10(7-9(3)16-17)11-8-19-13(15-11)14-5-2/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyHGRDTEFHXKJHME-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one

4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one (PubChem CID 82442840) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
PubChem CID82442840
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(-c2csc(NCC)n2)c1=O
InChIInChI=1S/C13H18N4OS/c1-4-6-17-12(18)10(7-9(3)16-17)11-8-19-13(15-11)14-5-2/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyHGRDTEFHXKJHME-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

6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
CID 82442841
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
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
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
CID 82443633
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
CID 82442832
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
CID 82526675
N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82448532
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526345

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one?
The IUPAC name of 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one (CID 82442840) is 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one is CCCn1nc(C)cc(-c2csc(NCC)n2)c1=O.
What is the InChIKey of 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one?
The InChIKey is HGRDTEFHXKJHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-6-17-12(18)10(7-9(3)16-17)11-8-19-13(15-11)14-5-2/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one?
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-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 4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82442840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).