2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole

C18H21N7S — CID 155980504

IUPAC2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole
SMILESCc1nccc(N2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)n1
InChIInChI=1S/C18H21N7S/c1-12-18(26-14(3)20-12)15-4-5-17(23-22-15)25-10-8-24(9-11-25)16-6-7-19-13(2)21-16/h4-7H,8-11H2,1-3H3
InChIKeyAAHUKZMURPXJFC-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.64
Rot. Bonds3

About 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole

2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole (PubChem CID 155980504) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole
PubChem CID155980504
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole
SMILESCc1nccc(N2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)n1
InChIInChI=1S/C18H21N7S/c1-12-18(26-14(3)20-12)15-4-5-17(23-22-15)25-10-8-24(9-11-25)16-6-7-19-13(2)21-16/h4-7H,8-11H2,1-3H3
InChIKeyAAHUKZMURPXJFC-UHFFFAOYSA-N
XLogP2.64
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
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-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 155980870
5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
CID 166605680
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole (CID 155980504) is 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole is Cc1nccc(N2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)n1.
What is the InChIKey of 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is AAHUKZMURPXJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7S/c1-12-18(26-14(3)20-12)15-4-5-17(23-22-15)25-10-8-24(9-11-25)16-6-7-19-13(2)21-16/h4-7H,8-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 367.48 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 155980504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).