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

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).