(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole

C20H16N2S — CID 144782307

IUPAC(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC=C/C(c1ccccc1)=c1/sc2nc3ccccc3n2/c1=C/C
InChIInChI=1S/C20H16N2S/c1-3-15(14-10-6-5-7-11-14)19-17(4-2)22-18-13-9-8-12-16(18)21-20(22)23-19/h3-13H,1H2,2H3/b17-4+,19-15-
InChIKeyXZGCULFQSTWZIJ-LXEUDBQBSA-N
MW316.43 g/mol
LogP3.73
Rot. Bonds2

About (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole

(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 144782307) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID144782307
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC=C/C(c1ccccc1)=c1/sc2nc3ccccc3n2/c1=C/C
InChIInChI=1S/C20H16N2S/c1-3-15(14-10-6-5-7-11-14)19-17(4-2)22-18-13-9-8-12-16(18)21-20(22)23-19/h3-13H,1H2,2H3/b17-4+,19-15-
InChIKeyXZGCULFQSTWZIJ-LXEUDBQBSA-N
XLogP3.73
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole (CID 144782307) is (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole is C=C/C(c1ccccc1)=c1/sc2nc3ccccc3n2/c1=C/C.
What is the InChIKey of (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is XZGCULFQSTWZIJ-LXEUDBQBSA-N. The full InChI is InChI=1S/C20H16N2S/c1-3-15(14-10-6-5-7-11-14)19-17(4-2)22-18-13-9-8-12-16(18)21-20(22)23-19/h3-13H,1H2,2H3/b17-4+,19-15-.
What are the key properties of (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole?
(1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 316.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z)-1-ethylidene-2-(1-phenylprop-2-enylidene)-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 144782307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).