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

C11H10N4S2 — CID 60725820

IUPAC5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESCc1csc(Sc2nnc(C)c(C)c2C#N)n1
InChIInChI=1S/C11H10N4S2/c1-6-5-16-11(13-6)17-10-9(4-12)7(2)8(3)14-15-10/h5H,1-3H3
InChIKeyPBKFRRSWUXGZET-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.88
Rot. Bonds2

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

5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile (PubChem CID 60725820) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
PubChem CID60725820
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESCc1csc(Sc2nnc(C)c(C)c2C#N)n1
InChIInChI=1S/C11H10N4S2/c1-6-5-16-11(13-6)17-10-9(4-12)7(2)8(3)14-15-10/h5H,1-3H3
InChIKeyPBKFRRSWUXGZET-UHFFFAOYSA-N
XLogP2.88
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile 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 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile (CID 60725820) is 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile is Cc1csc(Sc2nnc(C)c(C)c2C#N)n1.
What is the InChIKey of 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The InChIKey is PBKFRRSWUXGZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c1-6-5-16-11(13-6)17-10-9(4-12)7(2)8(3)14-15-10/h5H,1-3H3.
What are the key properties of 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 60725820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).