methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate

C22H18N4O2S — CID 108776253

IUPACmethyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)nn1
InChIInChI=1S/C22H18N4O2S/c1-28-22(27)18-11-12-20(26-25-18)23-13-15-7-9-17(10-8-15)21-24-19(14-29-21)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyTWJUENVYIBWUMN-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.67
Rot. Bonds6

About methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate

methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate (PubChem CID 108776253) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
PubChem CID108776253
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Namemethyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)nn1
InChIInChI=1S/C22H18N4O2S/c1-28-22(27)18-11-12-20(26-25-18)23-13-15-7-9-17(10-8-15)21-24-19(14-29-21)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyTWJUENVYIBWUMN-UHFFFAOYSA-N
XLogP4.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
CID 133348735
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate
CID 55027512
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
CID 133387998
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate (CID 108776253) is methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)nn1.
What is the InChIKey of methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate?
The InChIKey is TWJUENVYIBWUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-28-22(27)18-11-12-20(26-25-18)23-13-15-7-9-17(10-8-15)21-24-19(14-29-21)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,26).
What are the key properties of methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate?
methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate has a molecular weight of 402.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 108776253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).