6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one

C14H20N4O2S — CID 82442523

IUPAC6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCC(C)Nc1nc(-c2ccc(=O)n(CCOC)n2)cs1
InChIInChI=1S/C14H20N4O2S/c1-4-10(2)15-14-16-12(9-21-14)11-5-6-13(19)18(17-11)7-8-20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyXEYGZCAISRFUMD-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.22
Rot. Bonds7

About 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one

6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 82442523) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID82442523
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCC(C)Nc1nc(-c2ccc(=O)n(CCOC)n2)cs1
InChIInChI=1S/C14H20N4O2S/c1-4-10(2)15-14-16-12(9-21-14)11-5-6-13(19)18(17-11)7-8-20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyXEYGZCAISRFUMD-UHFFFAOYSA-N
XLogP2.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
6-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442503
2-(2-methoxyethyl)-6-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442504
2-(2-methoxyethyl)-6-[3-(1-thiophen-2-ylethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 119043588
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 82452103
6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442484
3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523299
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 2649638
N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 4884366
6-amino-5-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420731

Frequently Asked Questions

What is the IUPAC name of 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one (CID 82442523) is 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one is CCC(C)Nc1nc(-c2ccc(=O)n(CCOC)n2)cs1.
What is the InChIKey of 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is XEYGZCAISRFUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-10(2)15-14-16-12(9-21-14)11-5-6-13(19)18(17-11)7-8-20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one?
6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 308.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 82442523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).