4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one

C14H17ClN4OS — CID 71981385

IUPAC4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one
SMILESCN(Cc1nc2c(s1)CCCC2)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C14H17ClN4OS/c1-18(10-7-16-19(2)14(20)13(10)15)8-12-17-9-5-3-4-6-11(9)21-12/h7H,3-6,8H2,1-2H3
InChIKeyCSZBQXIYJBSXQH-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.41
Rot. Bonds3

About 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one (PubChem CID 71981385) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one
PubChem CID71981385
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one
SMILESCN(Cc1nc2c(s1)CCCC2)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C14H17ClN4OS/c1-18(10-7-16-19(2)14(20)13(10)15)8-12-17-9-5-3-4-6-11(9)21-12/h7H,3-6,8H2,1-2H3
InChIKeyCSZBQXIYJBSXQH-UHFFFAOYSA-N
XLogP2.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one 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 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one (CID 71981385) is 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one is CN(Cc1nc2c(s1)CCCC2)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one?
The InChIKey is CSZBQXIYJBSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-18(10-7-16-19(2)14(20)13(10)15)8-12-17-9-5-3-4-6-11(9)21-12/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one has a molecular weight of 324.84 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 71981385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).