2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile

C12H12N4OS — CID 10659001

IUPAC2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile
SMILESCC(=C(C#N)C#N)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C12H12N4OS/c1-9(10(6-13)7-14)11-8-15-12(18-11)16-2-4-17-5-3-16/h8H,2-5H2,1H3
InChIKeyAFFDPKBQUFMJMJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.80
Rot. Bonds2

About 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile

2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile (PubChem CID 10659001) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile
PubChem CID10659001
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile
SMILESCC(=C(C#N)C#N)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C12H12N4OS/c1-9(10(6-13)7-14)11-8-15-12(18-11)16-2-4-17-5-3-16/h8H,2-5H2,1H3
InChIKeyAFFDPKBQUFMJMJ-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]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-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile?
The IUPAC name of 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile (CID 10659001) is 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile.
What is the SMILES notation for 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile?
The canonical SMILES for 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile is CC(=C(C#N)C#N)c1cnc(N2CCOCC2)s1.
What is the InChIKey of 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile?
The InChIKey is AFFDPKBQUFMJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-9(10(6-13)7-14)11-8-15-12(18-11)16-2-4-17-5-3-16/h8H,2-5H2,1H3.
What are the key properties of 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile?
2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile has a molecular weight of 260.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethylidene]propanedinitrile is sourced from PubChem (CID 10659001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).