ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate

C25H24N4O3S — CID 25250706

IUPACethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=c1/sc3nc4ccccc4n3c1=O)N2CC
InChIInChI=1S/C25H24N4O3S/c1-4-27-19-12-11-16(24(31)32-6-3)15-20(19)28(5-2)22(27)14-13-21-23(30)29-18-10-8-7-9-17(18)26-25(29)33-21/h7-15H,4-6H2,1-3H3/b21-13-,22-14-
InChIKeyGGPMNLIPZWKYHZ-JZTLMNBPSA-N
MW460.56 g/mol
LogP3.79
Rot. Bonds5

About ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate

ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate (PubChem CID 25250706) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate
PubChem CID25250706
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Nameethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=c1/sc3nc4ccccc4n3c1=O)N2CC
InChIInChI=1S/C25H24N4O3S/c1-4-27-19-12-11-16(24(31)32-6-3)15-20(19)28(5-2)22(27)14-13-21-23(30)29-18-10-8-7-9-17(18)26-25(29)33-21/h7-15H,4-6H2,1-3H3/b21-13-,22-14-
InChIKeyGGPMNLIPZWKYHZ-JZTLMNBPSA-N
XLogP3.79
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate 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 ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate?
The IUPAC name of ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate (CID 25250706) is ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate?
The canonical SMILES for ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=c1/sc3nc4ccccc4n3c1=O)N2CC.
What is the InChIKey of ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate?
The InChIKey is GGPMNLIPZWKYHZ-JZTLMNBPSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-4-27-19-12-11-16(24(31)32-6-3)15-20(19)28(5-2)22(27)14-13-21-23(30)29-18-10-8-7-9-17(18)26-25(29)33-21/h7-15H,4-6H2,1-3H3/b21-13-,22-14-.
What are the key properties of ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate?
ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate has a molecular weight of 460.56 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-1,3-diethyl-2-[(2Z)-2-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)ethylidene]benzimidazole-5-carboxylate is sourced from PubChem (CID 25250706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).