ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide

C14H15BrN2O2S — CID 6603040

IUPACethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1=C(c2ccccc2)N2CCN=C2S1
InChIInChI=1S/C14H14N2O2S.BrH/c1-2-18-13(17)12-11(10-6-4-3-5-7-10)16-9-8-15-14(16)19-12;/h3-7H,2,8-9H2,1H3;1H
InChIKeyGYAWFYOJNSLVLJ-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.91
Rot. Bonds3

About ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide

ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide (PubChem CID 6603040) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide
PubChem CID6603040
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Nameethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1=C(c2ccccc2)N2CCN=C2S1
InChIInChI=1S/C14H14N2O2S.BrH/c1-2-18-13(17)12-11(10-6-4-3-5-7-10)16-9-8-15-14(16)19-12;/h3-7H,2,8-9H2,1H3;1H
InChIKeyGYAWFYOJNSLVLJ-UHFFFAOYSA-N
XLogP2.91
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide 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 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide?
The IUPAC name of ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide (CID 6603040) is ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide?
The canonical SMILES for ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide is Br.CCOC(=O)C1=C(c2ccccc2)N2CCN=C2S1.
What is the InChIKey of ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide?
The InChIKey is GYAWFYOJNSLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S.BrH/c1-2-18-13(17)12-11(10-6-4-3-5-7-10)16-9-8-15-14(16)19-12;/h3-7H,2,8-9H2,1H3;1H.
What are the key properties of ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide?
ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide has a molecular weight of 355.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrobromide is sourced from PubChem (CID 6603040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).