3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile

C14H17N5S — CID 80510579

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2nc(C)c(C)s2)c(C#N)c1CC
InChIInChI=1S/C14H17N5S/c1-5-10-11(7-15)13(19-18-12(10)6-2)17-14-16-8(3)9(4)20-14/h5-6H2,1-4H3,(H,16,17,19)
InChIKeyNFULNQUSCDHALC-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.29
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80510579) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80510579
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2nc(C)c(C)s2)c(C#N)c1CC
InChIInChI=1S/C14H17N5S/c1-5-10-11(7-15)13(19-18-12(10)6-2)17-14-16-8(3)9(4)20-14/h5-6H2,1-4H3,(H,16,17,19)
InChIKeyNFULNQUSCDHALC-UHFFFAOYSA-N
XLogP3.29
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-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 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 80510579) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(Nc2nc(C)c(C)s2)c(C#N)c1CC.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is NFULNQUSCDHALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-5-10-11(7-15)13(19-18-12(10)6-2)17-14-16-8(3)9(4)20-14/h5-6H2,1-4H3,(H,16,17,19).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 287.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80510579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).