4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C19H24N6OS — CID 155980598

IUPAC4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(C)c(-c2ccc(N3CCN(Cc4c(C)noc4C)CC3)nn2)s1
InChIInChI=1S/C19H24N6OS/c1-12-16(14(3)26-23-12)11-24-7-9-25(10-8-24)18-6-5-17(21-22-18)19-13(2)20-15(4)27-19/h5-6H,7-11H2,1-4H3
InChIKeyLVOCEQAAEPAZBD-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.14
Rot. Bonds4

About 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 155980598) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID155980598
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(C)c(-c2ccc(N3CCN(Cc4c(C)noc4C)CC3)nn2)s1
InChIInChI=1S/C19H24N6OS/c1-12-16(14(3)26-23-12)11-24-7-9-25(10-8-24)18-6-5-17(21-22-18)19-13(2)20-15(4)27-19/h5-6H,7-11H2,1-4H3
InChIKeyLVOCEQAAEPAZBD-UHFFFAOYSA-N
XLogP3.14
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 155975015
2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole
CID 155980504
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888
4-[[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 133456030
2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 155980870
4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 133367967
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
3,5-dimethyl-4-[[4-(6-nitroquinolin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133277799
4-[[4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 49429611
2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027048
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one
CID 171704152
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 155980598) is 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1nc(C)c(-c2ccc(N3CCN(Cc4c(C)noc4C)CC3)nn2)s1.
What is the InChIKey of 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is LVOCEQAAEPAZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-12-16(14(3)26-23-12)11-24-7-9-25(10-8-24)18-6-5-17(21-22-18)19-13(2)20-15(4)27-19/h5-6H,7-11H2,1-4H3.
What are the key properties of 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 384.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 155980598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).