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

C17H16N4O2S — CID 133348735

IUPACmethyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2csc(-c3ccccc3)n2)nn1
InChIInChI=1S/C17H16N4O2S/c1-23-17(22)14-7-8-15(21-20-14)18-10-9-13-11-24-16(19-13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,21)
InChIKeyPBMZLXKGOVQRGH-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.04
Rot. Bonds6

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

methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate (PubChem CID 133348735) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
PubChem CID133348735
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Namemethyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2csc(-c3ccccc3)n2)nn1
InChIInChI=1S/C17H16N4O2S/c1-23-17(22)14-7-8-15(21-20-14)18-10-9-13-11-24-16(19-13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,21)
InChIKeyPBMZLXKGOVQRGH-UHFFFAOYSA-N
XLogP3.04
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
CID 108776253
methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
CID 55027363
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
CID 114139063
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate
CID 55027512
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 110305114
(4-methylpiperidin-1-yl)-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]methanone
CID 133348732
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate (CID 133348735) is methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCCc2csc(-c3ccccc3)n2)nn1.
What is the InChIKey of methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate?
The InChIKey is PBMZLXKGOVQRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-17(22)14-7-8-15(21-20-14)18-10-9-13-11-24-16(19-13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,21).
What are the key properties of methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate?
methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 133348735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).