2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole

C13H16N8S — CID 17450899

IUPAC2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3ccc4nnnn4n3)CC2)cs1
InChIInChI=1S/C13H16N8S/c1-10-14-11(9-22-10)8-19-4-6-20(7-5-19)13-3-2-12-15-17-18-21(12)16-13/h2-3,9H,4-8H2,1H3
InChIKeyDKZWAHQIHKDFGM-UHFFFAOYSA-N
MW316.39 g/mol
LogP0.61
Rot. Bonds3

About 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 17450899) has the molecular formula C13H16N8S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID17450899
Molecular FormulaC13H16N8S
Molecular Weight316.39 g/mol
Exact Mass316.12
IUPAC Name2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3ccc4nnnn4n3)CC2)cs1
InChIInChI=1S/C13H16N8S/c1-10-14-11(9-22-10)8-19-4-6-20(7-5-19)13-3-2-12-15-17-18-21(12)16-13/h2-3,9H,4-8H2,1H3
InChIKeyDKZWAHQIHKDFGM-UHFFFAOYSA-N
XLogP0.61
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-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-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027497
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
4-[2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 91834184
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133351975
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 17450899) is 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCN(c3ccc4nnnn4n3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is DKZWAHQIHKDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8S/c1-10-14-11(9-22-10)8-19-4-6-20(7-5-19)13-3-2-12-15-17-18-21(12)16-13/h2-3,9H,4-8H2,1H3.
What are the key properties of 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.39 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 17450899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).