5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile

C18H17N5S — CID 133348775

IUPAC5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2csc(-c3ccccc3)n2)c(C#N)c1C
InChIInChI=1S/C18H17N5S/c1-12-13(2)22-23-17(16(12)10-19)20-9-8-15-11-24-18(21-15)14-6-4-3-5-7-14/h3-7,11H,8-9H2,1-2H3,(H,20,23)
InChIKeyOUJZPHZNBCHRJF-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.74
Rot. Bonds5

About 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 133348775) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID133348775
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2csc(-c3ccccc3)n2)c(C#N)c1C
InChIInChI=1S/C18H17N5S/c1-12-13(2)22-23-17(16(12)10-19)20-9-8-15-11-24-18(21-15)14-6-4-3-5-7-14/h3-7,11H,8-9H2,1-2H3,(H,20,23)
InChIKeyOUJZPHZNBCHRJF-UHFFFAOYSA-N
XLogP3.74
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 133348791
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 31536591
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975161
3-bromo-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133348760
1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
CID 144959140
5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 71880268
2,4-bis(methylsulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]aniline
CID 133348701
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile (CID 133348775) is 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCc2csc(-c3ccccc3)n2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is OUJZPHZNBCHRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-12-13(2)22-23-17(16(12)10-19)20-9-8-15-11-24-18(21-15)14-6-4-3-5-7-14/h3-7,11H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 335.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133348775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).