2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole

C20H23N5S — CID 139027497

IUPAC2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cs1
InChIInChI=1S/C20H23N5S/c1-15-5-3-4-6-18(15)19-7-8-20(23-22-19)25-11-9-24(10-12-25)13-17-14-26-16(2)21-17/h3-8,14H,9-13H2,1-2H3
InChIKeyGXRZEOHWCLUDJG-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 139027497) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID139027497
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cs1
InChIInChI=1S/C20H23N5S/c1-15-5-3-4-6-18(15)19-7-8-20(23-22-19)25-11-9-24(10-12-25)13-17-14-26-16(2)21-17/h3-8,14H,9-13H2,1-2H3
InChIKeyGXRZEOHWCLUDJG-UHFFFAOYSA-N
XLogP3.54
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 127292092
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 17450899
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 139027497) is 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GXRZEOHWCLUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-15-5-3-4-6-18(15)19-7-8-20(23-22-19)25-11-9-24(10-12-25)13-17-14-26-16(2)21-17/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 365.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 139027497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).