ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate

C18H18N4O2S2 — CID 2998529

IUPACethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(SCc1cn3ccsc3n1)n2CC
InChIInChI=1S/C18H18N4O2S2/c1-3-22-15-6-5-12(16(23)24-4-2)9-14(15)20-18(22)26-11-13-10-21-7-8-25-17(21)19-13/h5-10H,3-4,11H2,1-2H3
InChIKeySUADLPFURMFDRS-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.23
Rot. Bonds6

About ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate

ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate (PubChem CID 2998529) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate
PubChem CID2998529
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Nameethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(SCc1cn3ccsc3n1)n2CC
InChIInChI=1S/C18H18N4O2S2/c1-3-22-15-6-5-12(16(23)24-4-2)9-14(15)20-18(22)26-11-13-10-21-7-8-25-17(21)19-13/h5-10H,3-4,11H2,1-2H3
InChIKeySUADLPFURMFDRS-UHFFFAOYSA-N
XLogP4.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate (CID 2998529) is ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(SCc1cn3ccsc3n1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate?
The InChIKey is SUADLPFURMFDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-3-22-15-6-5-12(16(23)24-4-2)9-14(15)20-18(22)26-11-13-10-21-7-8-25-17(21)19-13/h5-10H,3-4,11H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate?
ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 2998529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).