4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one

C16H13Cl3N4OS — CID 133274845

IUPAC4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one
SMILESCc1nc(CN(C)c2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)cs1
InChIInChI=1S/C16H13Cl3N4OS/c1-9-21-11(8-25-9)7-22(2)14-6-20-23(16(24)15(14)19)13-4-3-10(17)5-12(13)18/h3-6,8H,7H2,1-2H3
InChIKeyMTCOINWGPBADIQ-UHFFFAOYSA-N
MW415.73 g/mol
LogP4.59
Rot. Bonds4

About 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one

4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one (PubChem CID 133274845) has the molecular formula C16H13Cl3N4OS and a molecular weight of 415.73 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one
PubChem CID133274845
Molecular FormulaC16H13Cl3N4OS
Molecular Weight415.73 g/mol
Exact Mass413.99
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one
SMILESCc1nc(CN(C)c2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)cs1
InChIInChI=1S/C16H13Cl3N4OS/c1-9-21-11(8-25-9)7-22(2)14-6-20-23(16(24)15(14)19)13-4-3-10(17)5-12(13)18/h3-6,8H,7H2,1-2H3
InChIKeyMTCOINWGPBADIQ-UHFFFAOYSA-N
XLogP4.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]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

Related Compounds

4-chloro-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468828
3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
CID 2774919
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850335
4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
CID 133382272
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850346
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 114861092
5-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 62101572
4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133431106
4-(aminomethyl)-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 107091430
4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one
CID 3714524
5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 103580161
5-amino-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 103286941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one (CID 133274845) is 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one is Cc1nc(CN(C)c2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)cs1.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one?
The InChIKey is MTCOINWGPBADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N4OS/c1-9-21-11(8-25-9)7-22(2)14-6-20-23(16(24)15(14)19)13-4-3-10(17)5-12(13)18/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one?
4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one has a molecular weight of 415.73 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one is sourced from PubChem (CID 133274845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).