ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate

C14H12N2O2S — CID 118716425

IUPACethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccccc3)n12
InChIInChI=1S/C14H12N2O2S/c1-2-18-13(17)11-8-15-14-16(11)12(9-19-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyQBECEVOKKVRBBG-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.24
Rot. Bonds3

About ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate

ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 118716425) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID118716425
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Nameethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccccc3)n12
InChIInChI=1S/C14H12N2O2S/c1-2-18-13(17)11-8-15-14-16(11)12(9-19-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyQBECEVOKKVRBBG-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 1480574
Methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
Propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067630
Propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067631
Ethyl 3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylate
CID 853929
3-Methyl-2-(morpholin-4-ylcarbonyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 3245660
Benzyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067634
Ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067620
Imidazo[2,1-b]benzothiazole-3-carboxylic acid ethyl ester
CID 10890197
N,N-bis(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3242900
Cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067632
Ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 118716425) is ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1cnc2scc(-c3ccccc3)n12.
What is the InChIKey of ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is QBECEVOKKVRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-18-13(17)11-8-15-14-16(11)12(9-19-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).