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

C17H21N7S — CID 127292092

IUPAC2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccn(-c2ccc(N3CCN(Cc4csc(C)n4)CC3)nn2)n1
InChIInChI=1S/C17H21N7S/c1-13-5-6-24(21-13)17-4-3-16(19-20-17)23-9-7-22(8-10-23)11-15-12-25-14(2)18-15/h3-6,12H,7-11H2,1-2H3
InChIKeyOXGZTFZNICZVCV-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.06
Rot. Bonds4

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

2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 127292092) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID127292092
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC Name2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccn(-c2ccc(N3CCN(Cc4csc(C)n4)CC3)nn2)n1
InChIInChI=1S/C17H21N7S/c1-13-5-6-24(21-13)17-4-3-16(19-20-17)23-9-7-22(8-10-23)11-15-12-25-14(2)18-15/h3-6,12H,7-11H2,1-2H3
InChIKeyOXGZTFZNICZVCV-UHFFFAOYSA-N
XLogP2.06
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027497
2-methyl-4-[[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 17450899
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-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133317757
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
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-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 127292092) is 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1ccn(-c2ccc(N3CCN(Cc4csc(C)n4)CC3)nn2)n1.
What is the InChIKey of 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OXGZTFZNICZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-13-5-6-24(21-13)17-4-3-16(19-20-17)23-9-7-22(8-10-23)11-15-12-25-14(2)18-15/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 355.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 127292092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).