2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile

C15H11N3S — CID 163869842

IUPAC2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile
SMILESCC/C=c1\sc(=C(C#N)C#N)nc1-c1ccccc1
InChIInChI=1S/C15H11N3S/c1-2-6-13-14(11-7-4-3-5-8-11)18-15(19-13)12(9-16)10-17/h3-8H,2H2,1H3/b13-6-
InChIKeyPJVOWURZWMQLGE-MLPAPPSSSA-N
MW265.34 g/mol
LogP2.20
Rot. Bonds2

About 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile

2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile (PubChem CID 163869842) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile
PubChem CID163869842
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile
SMILESCC/C=c1\sc(=C(C#N)C#N)nc1-c1ccccc1
InChIInChI=1S/C15H11N3S/c1-2-6-13-14(11-7-4-3-5-8-11)18-15(19-13)12(9-16)10-17/h3-8H,2H2,1H3/b13-6-
InChIKeyPJVOWURZWMQLGE-MLPAPPSSSA-N
XLogP2.20
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile (CID 163869842) is 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile is CC/C=c1\sc(=C(C#N)C#N)nc1-c1ccccc1.
What is the InChIKey of 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile?
The InChIKey is PJVOWURZWMQLGE-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H11N3S/c1-2-6-13-14(11-7-4-3-5-8-11)18-15(19-13)12(9-16)10-17/h3-8H,2H2,1H3/b13-6-.
What are the key properties of 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile?
2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile has a molecular weight of 265.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile is sourced from PubChem (CID 163869842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).