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

C20H26N6OS — CID 155975015

IUPAC4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(N3CCN(Cc4ncoc4C(C)C)CC3)nn2)s1
InChIInChI=1S/C20H26N6OS/c1-13(2)19-17(21-12-27-19)11-25-7-9-26(10-8-25)18-6-5-16(23-24-18)20-14(3)22-15(4)28-20/h5-6,12-13H,7-11H2,1-4H3
InChIKeyKRRVWLAIPRCXMJ-UHFFFAOYSA-N
MW398.54 g/mol
LogP3.65
Rot. Bonds5

About 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

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 (PubChem CID 155975015) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
PubChem CID155975015
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(N3CCN(Cc4ncoc4C(C)C)CC3)nn2)s1
InChIInChI=1S/C20H26N6OS/c1-13(2)19-17(21-12-27-19)11-25-7-9-26(10-8-25)18-6-5-16(23-24-18)20-14(3)22-15(4)28-20/h5-6,12-13H,7-11H2,1-4H3
InChIKeyKRRVWLAIPRCXMJ-UHFFFAOYSA-N
XLogP3.65
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole
CID 155980504
4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 163349540
4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 155798689
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
2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027048
6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998206
2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913451
5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 139027734
5-[[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 139028780
2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027497
cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 171324101

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]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)c(-c2ccc(N3CCN(Cc4ncoc4C(C)C)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]-5-propan-2-yl-1,3-oxazole?
The InChIKey is KRRVWLAIPRCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-13(2)19-17(21-12-27-19)11-25-7-9-26(10-8-25)18-6-5-16(23-24-18)20-14(3)22-15(4)28-20/h5-6,12-13H,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]-5-propan-2-yl-1,3-oxazole?
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 has a molecular weight of 398.54 g/mol, XLogP of 3.65, 5 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]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 155975015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).