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

C13H14N4S2 — CID 80501948

IUPAC5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESCCc1nnc(Sc2nc(C)cs2)c(C#N)c1CC
InChIInChI=1S/C13H14N4S2/c1-4-9-10(6-14)12(17-16-11(9)5-2)19-13-15-8(3)7-18-13/h7H,4-5H2,1-3H3
InChIKeyXTLLOSKMINNXMM-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.39
Rot. Bonds4

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

5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile (PubChem CID 80501948) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
PubChem CID80501948
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESCCc1nnc(Sc2nc(C)cs2)c(C#N)c1CC
InChIInChI=1S/C13H14N4S2/c1-4-9-10(6-14)12(17-16-11(9)5-2)19-13-15-8(3)7-18-13/h7H,4-5H2,1-3H3
InChIKeyXTLLOSKMINNXMM-UHFFFAOYSA-N
XLogP3.39
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile (CID 80501948) is 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile is CCc1nnc(Sc2nc(C)cs2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The InChIKey is XTLLOSKMINNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-4-9-10(6-14)12(17-16-11(9)5-2)19-13-15-8(3)7-18-13/h7H,4-5H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile has a molecular weight of 290.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 80501948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).