4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one

C12H15BrN4OS — CID 115681189

IUPAC4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
SMILESCCc1cnc(C(C)Nc2cnn(C)c(=O)c2Br)s1
InChIInChI=1S/C12H15BrN4OS/c1-4-8-5-14-11(19-8)7(2)16-9-6-15-17(3)12(18)10(9)13/h5-7,16H,4H2,1-3H3
InChIKeyIGPMYEAJVNPFMH-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.73
Rot. Bonds4

About 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one

4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one (PubChem CID 115681189) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
PubChem CID115681189
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
SMILESCCc1cnc(C(C)Nc2cnn(C)c(=O)c2Br)s1
InChIInChI=1S/C12H15BrN4OS/c1-4-8-5-14-11(19-8)7(2)16-9-6-15-17(3)12(18)10(9)13/h5-7,16H,4H2,1-3H3
InChIKeyIGPMYEAJVNPFMH-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-prop-2-ynylpyridazin-3-one
CID 114441358
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
CID 133335715
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
CID 113251679
4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 113235044
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one (CID 115681189) is 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one is CCc1cnc(C(C)Nc2cnn(C)c(=O)c2Br)s1.
What is the InChIKey of 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is IGPMYEAJVNPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-4-8-5-14-11(19-8)7(2)16-9-6-15-17(3)12(18)10(9)13/h5-7,16H,4H2,1-3H3.
What are the key properties of 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one?
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 343.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115681189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).