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

C16H14N4O2S — CID 51097185

IUPAC5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc(-c2nc(Cn3nc(C)c(C)c(C#N)c3=O)cs2)o1
InChIInChI=1S/C16H14N4O2S/c1-9-4-5-14(22-9)15-18-12(8-23-15)7-20-16(21)13(6-17)10(2)11(3)19-20/h4-5,8H,7H2,1-3H3
InChIKeyKVCRJCJASYBUPR-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.81
Rot. Bonds3

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

5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile (PubChem CID 51097185) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile
PubChem CID51097185
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc(-c2nc(Cn3nc(C)c(C)c(C#N)c3=O)cs2)o1
InChIInChI=1S/C16H14N4O2S/c1-9-4-5-14(22-9)15-18-12(8-23-15)7-20-16(21)13(6-17)10(2)11(3)19-20/h4-5,8H,7H2,1-3H3
InChIKeyKVCRJCJASYBUPR-UHFFFAOYSA-N
XLogP2.81
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile (CID 51097185) is 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile is Cc1ccc(-c2nc(Cn3nc(C)c(C)c(C#N)c3=O)cs2)o1.
What is the InChIKey of 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile?
The InChIKey is KVCRJCJASYBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-4-5-14(22-9)15-18-12(8-23-15)7-20-16(21)13(6-17)10(2)11(3)19-20/h4-5,8H,7H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile?
5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile has a molecular weight of 326.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 51097185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).