4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one

C12H15BrN4O2S — CID 114435056

IUPAC4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2csc(C)n2)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O2S/c1-8-16-9(7-20-8)5-14-10-6-15-17(3-4-19-2)12(18)11(10)13/h6-7,14H,3-5H2,1-2H3
InChIKeyKDUXDUFHQPSZHT-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.03
Rot. Bonds6

About 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 114435056) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one
PubChem CID114435056
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2csc(C)n2)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O2S/c1-8-16-9(7-20-8)5-14-10-6-15-17(3-4-19-2)12(18)11(10)13/h6-7,14H,3-5H2,1-2H3
InChIKeyKDUXDUFHQPSZHT-UHFFFAOYSA-N
XLogP2.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one with MolForge

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Related Compounds

4-bromo-2-(2-methoxyethyl)-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440270
4-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114435048
4-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114435063
4-bromo-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 114433960
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
4-bromo-2-(2-methoxyethyl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114438798
4-bromo-5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106248235
4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114442181
4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
CID 114433893
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106278313
tert-butyl N-[2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 104933125
4-chloro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114435044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one (CID 114435056) is 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one is COCCn1ncc(NCc2csc(C)n2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is KDUXDUFHQPSZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8-16-9(7-20-8)5-14-10-6-15-17(3-4-19-2)12(18)11(10)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 359.25 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114435056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).