2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile

C22H9N5OS — CID 170175475

IUPAC2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile
SMILESCc1cc2sc(C=C3C(=C(C#N)C#N)c4ccccc4C3=C(C#N)C#N)nc2o1
InChIInChI=1S/C22H9N5OS/c1-12-6-18-22(28-12)27-19(29-18)7-17-20(13(8-23)9-24)15-4-2-3-5-16(15)21(17)14(10-25)11-26/h2-7H,1H3
InChIKeyQDURCGQVXOGOTQ-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.90
Rot. Bonds1

About 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile

2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile (PubChem CID 170175475) has the molecular formula C22H9N5OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile
PubChem CID170175475
Molecular FormulaC22H9N5OS
Molecular Weight391.42 g/mol
Exact Mass391.05
IUPAC Name2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile
SMILESCc1cc2sc(C=C3C(=C(C#N)C#N)c4ccccc4C3=C(C#N)C#N)nc2o1
InChIInChI=1S/C22H9N5OS/c1-12-6-18-22(28-12)27-19(29-18)7-17-20(13(8-23)9-24)15-4-2-3-5-16(15)21(17)14(10-25)11-26/h2-7H,1H3
InChIKeyQDURCGQVXOGOTQ-UHFFFAOYSA-N
XLogP4.90
TPSA121.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile 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 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile?
The IUPAC name of 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile (CID 170175475) is 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile is Cc1cc2sc(C=C3C(=C(C#N)C#N)c4ccccc4C3=C(C#N)C#N)nc2o1.
What is the InChIKey of 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile?
The InChIKey is QDURCGQVXOGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H9N5OS/c1-12-6-18-22(28-12)27-19(29-18)7-17-20(13(8-23)9-24)15-4-2-3-5-16(15)21(17)14(10-25)11-26/h2-7H,1H3.
What are the key properties of 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile?
2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile has a molecular weight of 391.42 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dicyanomethylidene)-2-[(5-methylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile is sourced from PubChem (CID 170175475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).