4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

C9H10N4OS — CID 106381976

IUPAC4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc(NCc2csc(=O)[nH]2)nn1
InChIInChI=1S/C9H10N4OS/c1-6-2-3-8(13-12-6)10-4-7-5-15-9(14)11-7/h2-3,5H,4H2,1H3,(H,10,13)(H,11,14)
InChIKeyGXUFMYSMAPOSFQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.15
Rot. Bonds3

About 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381976) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381976
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc(NCc2csc(=O)[nH]2)nn1
InChIInChI=1S/C9H10N4OS/c1-6-2-3-8(13-12-6)10-4-7-5-15-9(14)11-7/h2-3,5H,4H2,1H3,(H,10,13)(H,11,14)
InChIKeyGXUFMYSMAPOSFQ-UHFFFAOYSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 114181486
6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide
CID 106381516
4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379398
3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
CID 106382248
4-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 103775109
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[(4-amino-2-methylanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379468
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384287

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381976) is 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is Cc1ccc(NCc2csc(=O)[nH]2)nn1.
What is the InChIKey of 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GXUFMYSMAPOSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-2-3-8(13-12-6)10-4-7-5-15-9(14)11-7/h2-3,5H,4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 222.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).